| CAS Number | 1048640-39-6 |
| Catalog Number | AG00J3T6(AGN-PC-0WB7DS) |
| Chemical Name | Benzenemethanamine, N-(cyclopropylmethyl)-α-methyl-, hydrochloride (1:1) |
| IUPAC Name | N-(cyclopropylmethyl)-1-phenylethanamine;hydrochloride |
| InChI | InChI=1S/C12H17N.ClH/c1-10(13-9-11-7-8-11)12-5-3-2-4-6-12;/h2-6,10-11,13H,7-9H2,1H3;1H |
| InChI Key | FFABYRXHIHXIBC-UHFFFAOYSA-N |
| MDL Number | MFCD03930933 |
| Molecular Formula | C12H18ClN |
| Molecular Weight | 211.7310 |
| SMILES | CC(C1=CC=CC=C1)NCC2CC2.Cl |
| Synonyms | N-(Cyclopropylmethyl)-1-phenylethanamine hydrochloride,
1048640-39-6,
ARONIS004850,
KS-00003XIY,
ZX-CM016839,
MFCD03930933,
AKOS003744313,
MCULE-3771200675,
BB0281949,
ST45041635,
(cyclopropylmethyl)(phenylethyl)amine, chloride,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.733g/mol |
| Monoisotopic Mass | 211.113g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number