| CAS Number | 848658-77-5 |
| Catalog Number | AG004WA8(AGN-PC-0WB82J) |
| Chemical Name | N-{[4-(propan-2-yl)phenyl]methyl}cyclopropanamine |
| IUPAC Name | N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine |
| InChI | InChI=1S/C13H19N/c1-10(2)12-5-3-11(4-6-12)9-14-13-7-8-13/h3-6,10,13-14H,7-9H2,1-2H3 |
| InChI Key | NIMZIHWYZATVSS-UHFFFAOYSA-N |
| MDL Number | MFCD07330155 |
| Molecular Formula | C13H19N |
| Molecular Weight | 189.2967 |
| SMILES | CC(C1=CC=C(CNC2CC2)C=C1)C |
| Synonyms | N-(4-isopropylbenzyl)cyclopropanamine,
848658-77-5,
AC1NGFSW,
AC1Q1ONT,
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine,
SCHEMBL16980401,
CTK5F3321,
DTXSID20406025,
HMS1750I20,
ZINC4207295,
STK511415,
AKOS000264193,
MCULE-7429815440,
AJ-48882,
N-[4-(propan-2-yl)benzyl]cyclopropanamine,
EN300-14070,
Y-2759,
N-{[4-(propan-2-yl)phenyl]methyl}cyclopropanamine,
Z86138891,
CID4723387,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.302g/mol |
| Monoisotopic Mass | 189.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number