| CAS Number | 856758-61-7 |
| Catalog Number | AG01DU5S(AGN-PC-0WOEUB) |
| Chemical Name | (1R)-1-(4-BROMOPHENYL)PROPAN-1-AMINE |
| IUPAC Name | (1R)-1-(4-bromophenyl)propan-1-amine |
| InChI | InChI=1S/C9H12BrN/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2,11H2,1H3/t9-/m1/s1 |
| InChI Key | WKPWFAZJGVXPCH-SECBINFHSA-N |
| MDL Number | MFCD06761891 |
| Molecular Formula | C9H12BrN |
| Molecular Weight | 214.1023 |
| SMILES | CC[C@H](C1=CC=C(Br)C=C1)N |
| Synonyms | (1R)-1-(4-bromophenyl)propan-1-amine,
(R)-1-(4-Bromophenyl)propan-1-amine,
856758-61-7,
AC1OFHQB,
SCHEMBL896398,
ZINC4200443,
MFCD06761891,
AKOS012669918,
AJ-48296,
1-(4-bromophenyl)propan-1-amine,
CID7127719,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.106g/mol |
| Monoisotopic Mass | 213.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H314-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
|
|
UN Code
|
UN 2735
|
Certificate of Analysis
Lot Number