U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C3H8BrN.BrH
Molecular Weight 218.918
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Bromopropylamine hydrobromide

SMILES

Br.NCCCBr

InChI

InChIKey=PQIYSSSTRHVOBW-UHFFFAOYSA-N
InChI=1S/C3H8BrN.BrH/c4-2-1-3-5;/h1-3,5H2;1H

HIDE SMILES / InChI

Molecular Formula C3H8BrN
Molecular Weight 138.006
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:21:58 GMT 2023
Edited
by admin
on Sat Dec 16 20:21:58 GMT 2023
Record UNII
R37T6824WA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Bromopropylamine hydrobromide
Systematic Name English
1-Propanamine, 3-bromo-, hydrobromide (1:1)
Systematic Name English
1-Propanamine, 3-bromo-, hydrobromide
Common Name English
NSC-78813
Code English
Code System Code Type Description
NSC
78813
Created by admin on Sat Dec 16 20:21:58 GMT 2023 , Edited by admin on Sat Dec 16 20:21:58 GMT 2023
PRIMARY
PUBCHEM
78701
Created by admin on Sat Dec 16 20:21:58 GMT 2023 , Edited by admin on Sat Dec 16 20:21:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID8063674
Created by admin on Sat Dec 16 20:21:58 GMT 2023 , Edited by admin on Sat Dec 16 20:21:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
225-675-0
Created by admin on Sat Dec 16 20:21:58 GMT 2023 , Edited by admin on Sat Dec 16 20:21:58 GMT 2023
PRIMARY
FDA UNII
R37T6824WA
Created by admin on Sat Dec 16 20:21:58 GMT 2023 , Edited by admin on Sat Dec 16 20:21:58 GMT 2023
PRIMARY
CAS
5003-71-4
Created by admin on Sat Dec 16 20:21:58 GMT 2023 , Edited by admin on Sat Dec 16 20:21:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE