| CAS Number | 78469-10-0 |
| Catalog Number | AG00G44G(AGN-PC-0UDIFL) |
| Chemical Name | 1-(4-Chlorophenyl)-2-methylpropan-1-amine |
| IUPAC Name | 1-(4-chlorophenyl)-2-methylpropan-1-amine |
| InChI | InChI=1S/C10H14ClN/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7,10H,12H2,1-2H3 |
| InChI Key | KAIHEXRERGCTPN-UHFFFAOYSA-N |
| MDL Number | MFCD28961743 |
| Molecular Formula | C10H14ClN |
| Molecular Weight | 183.6779 |
| SMILES | ClC1=CC=C(C=C1)C(C(C)C)N |
| Synonyms | 1-(4-chlorophenyl)-2-methylpropan-1-amine,
78469-10-0,
AC1Q1O3D,
SCHEMBL8977213,
CTK7D4483,
KAIHEXRERGCTPN-UHFFFAOYSA-N,
AKOS000199759,
AKOS022258093,
MCULE-8816699659,
NE50097,
EN300-26273,
Z221603934,
(R)-1-(4-Chlorophenyl)-2-methylpropan-1-amine,
(S)-1-(4-Chlorophenyl)-2-methylpropan-1-amine,
(1R)-1-(4-CHLOROPHENYL)-2-METHYLPROPAN-1-AMINE,
N/A,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.679g/mol |
| Monoisotopic Mass | 183.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number