| CAS Number | 902742-36-3 |
| Catalog Number | AG01A90C(AGN-PC-0WO7UQ) |
| Chemical Name | Cyclopropyl[4-(2-methylpropyl)phenyl]methanamine |
| IUPAC Name | cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine |
| InChI | InChI=1S/C14H21N/c1-10(2)9-11-3-5-12(6-4-11)14(15)13-7-8-13/h3-6,10,13-14H,7-9,15H2,1-2H3 |
| InChI Key | IVMVLJNXWHRWCW-UHFFFAOYSA-N |
| MDL Number | MFCD05191988 |
| Molecular Formula | C14H21N |
| Molecular Weight | 203.3232 |
| SMILES | CC(CC1=CC=C(C(C2CC2)N)C=C1)C |
| Synonyms | cyclopropyl[4-(2-methylpropyl)phenyl]methanamine,
902742-36-3,
AC1NDPQQ,
AC1Q1P8A,
Cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine,
AKOS000250412,
AKOS016904479,
MCULE-6883917527,
NE34120,
EN300-63885,
CID4579734,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.329g/mol |
| Monoisotopic Mass | 203.167g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number