| CAS Number | 54035-94-8 |
| Catalog Number | AG00I9NA(AGN-PC-0NIZ2H) |
| Chemical Name | 1-(2-Bromoethyl)pyrrolidine |
| IUPAC Name | 1-(2-bromoethyl)pyrrolidine |
| InChI | InChI=1S/C6H12BrN/c7-3-6-8-4-1-2-5-8/h1-6H2 |
| InChI Key | SAVGSSSLZPLNLG-UHFFFAOYSA-N |
| MDL Number | MFCD07779114 |
| Molecular Formula | C6H12BrN |
| Molecular Weight | 178.0702 |
| SMILES | BrCCN1CCCC1 |
| Synonyms | 1-(2-Bromoethyl)pyrrolidine,
54035-94-8,
Pyrrolidine, 1-(2-bromoethyl)-,
1-(2-BROMOETHYL)-PYRROLIDINE,
SCHEMBL989862,
CTK1G9214,
DTXSID40498361,
7750AB,
ZINC16697074,
AKOS010540767,
AC-17199,
AJ-69237,
BC211338,
SC-12634,
DB-008001,
FT-0728676,
ST24037072,
C6H12BrN,
|
| Complexity | 59.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.073g/mol |
| Monoisotopic Mass | 177.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
UN 2810
|
Certificate of Analysis
Lot Number