| CAS Number | 1019538-79-4 |
| Catalog Number | AG00990U(AGN-PC-0WOAEA) |
| Chemical Name | N-(Cyclopropylmethyl)-4-fluoro-benzylamine |
| IUPAC Name | 1-cyclopropyl-N-[(4-fluorophenyl)methyl]methanamine |
| InChI | InChI=1S/C11H14FN/c12-11-5-3-10(4-6-11)8-13-7-9-1-2-9/h3-6,9,13H,1-2,7-8H2 |
| InChI Key | JMKBYKGNJPSQPJ-UHFFFAOYSA-N |
| MDL Number | MFCD11140258 |
| Molecular Formula | C11H14FN |
| Molecular Weight | 179.2340 |
| SMILES | C1(CC1)CNCC1=CC=C(C=C1)F |
| Synonyms | 1019538-79-4,
(cyclopropylmethyl)[(4-fluorophenyl)methyl]amine,
N-(Cyclopropylmethyl)-4-fluoro-benzylamine,
ZINC19884603,
AKOS000228004,
MCULE-7997750039,
NE28501,
EN300-78455,
1-cyclopropyl-N-[(4-fluorophenyl)methyl]methanamine,
A1-06014,
F2158-1970,
Z401840986,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.238g/mol |
| Monoisotopic Mass | 179.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number