| CAS Number | 626603-31-4 |
| Catalog Number | AG00EQIB(AGN-PC-06CS2N) |
| Chemical Name | [1-(4-Bromophenyl)cyclopentyl]methanamine |
| IUPAC Name | [1-(4-bromophenyl)cyclopentyl]methanamine |
| InChI | InChI=1S/C12H16BrN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-9,14H2 |
| InChI Key | VEGUIFKLZDKBJV-UHFFFAOYSA-N |
| MDL Number | MFCD10689718 |
| Molecular Formula | C12H16BrN |
| Molecular Weight | 254.1661 |
| SMILES | NCC1(C2=CC=C(Br)C=C2)CCCC1 |
| Synonyms | 626603-31-4,
[1-(4-bromophenyl)cyclopentyl]methanamine,
1-(4-Bromophenyl)-cyclopentanemethanamine,
1-(4-Bromophenyl)cyclopentanemethanamine,
SCHEMBL6208554,
ZINC33487080,
AKOS005201472,
MCULE-4894693892,
NE26360,
SY197223,
EN300-82504,
MFCD10689718 (95%),
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.171g/mol |
| Monoisotopic Mass | 253.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number