tert-butyl N-(3-bromopropyl)carbamate

CAS 83948-53-2
C8H16BrNO2

tert-butyl N-(3-bromopropyl)carbamate (CAS 83948-53-2) is a chemical compound with molecular formula C8H16BrNO2 and molecular weight 238.12 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.

What is tert-butyl N-(3-bromopropyl)carbamate?

Molecular Formula
C8H16BrNO2
Molecular Weight
238.12 g/mol

Structure Identifiers

SMILES
CC(C)(C)OC(=O)NCCCBr
InChI
InChI=1S/C8H16BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
InChIKey
IOKGWQZQCNXXLD-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
237.0364 Da
XLogP
2.00
TPSA
38.3 Ų
H-Bond Donors
1
H-Bond Acceptors
2
Complexity
142
Formal Charge
0

Safety information

Signal Word

Warning

GHS Pictograms

GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H302 Harmful if swallowed

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P270 Do not eat, drink or smoke when using this product
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P330 Rinse mouth
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (70)

  • AB3341
  • AB12523
  • F215638
  • FB49784
  • GS-3838
  • AC-25616
  • CS-M1109
  • SY008330
  • 629-016-1
  • DB-006244
  • 83948-53-2
  • F0001-3044
  • orb2815031
  • SCHEMBL7434
  • EN300-195215
  • MFCD02683429
  • AKOS015836810
  • DTXSID40403511
  • RefChem:895941
  • Boc-3-bromopropylamine
  • N-Boc-Bromopropylamine
  • N-BOC-3-BROMOPROPYLAMINE
  • 3(BOC-amino)propylbromide
  • N-Boc 3-bromo-propylamine
  • 3-(Boc-Amino)propylbromide
  • 3(BOC-amino) propylbromide
  • 3-(Boc-amino)-propylbromide
  • 3-(Boc-amino)propyl bromide
  • IOKGWQZQCNXXLD-UHFFFAOYSA-N
  • N-Boc 3-bromopropan-1-amine
  • 3-(boc-amino)-propyl bromide
  • t-butyl (3-bromopropyl)carbamate
  • tert-Butyl 3-bromopropylcarbamate
  • tert-butyl(3 bromopropyl)carbamate
  • tert-butyl(3-bromopropyl)carbamate
  • Tert.-butyl-3-bromopropylcarbamate
  • tert-butyl (3 bromopropyl)carbamate
  • tert-Butyl (3-bromopropyl)carbamate
  • Tert-butylN-(3-bromopropyl)carbamate
  • tert-Butyl N-(3-bromopropyl)carbamate
  • tert-butoxycarbonylaminopropyl bromide
  • tert-butyl N-(3-bromopropyl)-carbamate
  • 3-(t-butoxycarbonylamino)propyl bromide
  • N-(t-butoxycarbonyl)-3-bromopropylamine
  • N-t-butyloxycarbonyl-3-bromopropylamine
  • 3-tert-butoxycarbonylaminopropyl bromide
  • N-tert-butoxycarbonyl-3-bromopropylamine
  • 1-tert-butoxycarbonylamino-3-bromopropane
  • 3-(Boc-amino)propyl bromide, >=96.0% (GC)
  • 3-bromo-N-tert-butoxycarbonyl-propylamine
Show 20 more names
  • (tert-butoxy)-n-(3-bromopropyl)carboxamide
  • 1,1-dimethylethyl (3-bromopropyl)carbamate
  • 3-(tert-Butoxycarbonylamino)propyl Bromide
  • N-(TERT-BUTOXYCARBONYL)-3-BROMOPROPYLAMINE
  • 1-(tert-butoxycarbonylamino)-3-bromopropane
  • 1,1-Dimethylethyl (3-bromopropyl)-carbamate
  • 2-methyl-2-propyl (3-bromopropyl)-carbamate
  • 3-Bromopropylcarbamic acid tert-butyl ester
  • 3-(tert-butyloxycarbonylamino)propyl bromide
  • 3-bromopropyl carbamic acid tert-butyl ester
  • N-(t-Butyloxycarbonyl)-1-bromo-3-propylamine
  • (3-bromopropyl)carbamic acid tert-butyl ester
  • (3-bromo-propyl)-carbamic acid ter-butyl ester
  • (3-bromo-propyl)carbamic acid tert-butyl ester
  • (3-bromopropyl)-carbamic acid tert-butyl ester
  • 3-[(tert-butoxycarbonyl)-amino]-1-bromopropane
  • (3-bromo-propyl)-carbamic acid tert-butyl ester
  • N-(3-Bromopropyl)carbamic Acid tert-Butyl Ester
  • (3-bromopropyl)-carbamic acid 1,1-dimethylethyl ester
  • Carbamic acid, (3-bromopropyl)-, 1,1-dimethylethyl ester

Frequently asked questions

What is the CAS number of tert-butyl N-(3-bromopropyl)carbamate?

The CAS Registry Number for tert-butyl N-(3-bromopropyl)carbamate is 83948-53-2.

What is the molecular formula of tert-butyl N-(3-bromopropyl)carbamate?

tert-butyl N-(3-bromopropyl)carbamate has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol.

What is the SMILES notation for tert-butyl N-(3-bromopropyl)carbamate?

The SMILES notation for tert-butyl N-(3-bromopropyl)carbamate is CC(C)(C)OC(=O)NCCCBr.

Is tert-butyl N-(3-bromopropyl)carbamate hazardous?

tert-butyl N-(3-bromopropyl)carbamate carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.

What are other names for tert-butyl N-(3-bromopropyl)carbamate?

tert-butyl N-(3-bromopropyl)carbamate is also known as (3-bromo-propyl)-carbamic acid ter-butyl ester, (3-bromo-propyl)-carbamic acid tert-butyl ester, (3-bromo-propyl)carbamic acid tert-butyl ester, (3-bromopropyl)-carbamic acid 1,1-dimethylethyl ester, (3-bromopropyl)-carbamic acid tert-butyl ester.

Data sourced from PubChem CID 4460490. Last updated .

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