| CAS Number | 110079-41-9 |
| Catalog Number | AG009TWC(AGN-PC-0NXAJZ) |
| Chemical Name | N-(3-BROMOBENZYL)-N-ISOPROPYLAMINE |
| IUPAC Name | N-[(3-bromophenyl)methyl]propan-2-amine |
| InChI | InChI=1S/C10H14BrN/c1-8(2)12-7-9-4-3-5-10(11)6-9/h3-6,8,12H,7H2,1-2H3 |
| InChI Key | DSUQYYCFSZHYJB-UHFFFAOYSA-N |
| MDL Number | MFCD08757430 |
| Molecular Formula | C10H14BrN |
| Molecular Weight | 228.1289 |
| SMILES | BrC=1C=C(C=CC1)CNC(C)C |
| Synonyms | [(3-bromophenyl)methyl](propan-2-yl)amine,
110079-41-9,
N-(3-Bromophenylmethyl)isopropylamine,
AC1Q1QC7,
SCHEMBL19500160,
DTXSID20552238,
KS-00001L9D,
MFCD08757430,
ZINC10435904,
AKOS000150041,
MCULE-6876419451,
NE17379,
N-[(3-Bromophenyl)methyl]propan-2-amine,
N-(3-BROMOBENZYL)-N-ISOPROPYLAMINE,
EN300-32094,
Z86129864,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.133g/mol |
| Monoisotopic Mass | 227.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number