| CAS Number | 1108684-03-2 |
| Catalog Number | AG00965T(AGN-PC-0WB00L) |
| Chemical Name | (1S)-1-(4-BROMOPHENYL)PROPAN-1-AMINE |
| IUPAC Name | (1S)-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-/m0/s1 |
| InChI Key | WKPWFAZJGVXPCH-VIFPVBQESA-N |
| MDL Number | MFCD06761890 |
| Molecular Formula | C9H12BrN |
| Molecular Weight | 214.1023 |
| SMILES | CC[C@@H](C1=CC=C(Br)C=C1)N |
| Synonyms | (1S)-1-(4-bromophenyl)propan-1-amine,
1108684-03-2,
(S)-1-(4-bromophenyl)propan-1-amine,
(1S)-1-(4-bromophenyl)propan-1-amine hydrochloride,
AC1OFHQ9,
SCHEMBL118924,
WKPWFAZJGVXPCH-VIFPVBQESA-N,
ZINC4200442,
MFCD06761890,
(S)-1-(4-bromo-phenyl)-propylamine,
AKOS017357481,
AJ-48295,
1-(4-bromophenyl)propan-1-amine,
CID7127717,
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| 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
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number