| CAS Number | 211315-08-1 |
| Catalog Number | AG01EJDR |
| Chemical Name | [1-(4-tert-butylphenyl)cyclopropyl]methanamine |
| IUPAC Name | [1-(4-tert-butylphenyl)cyclopropyl]methanamine |
| InChI | InChI=1S/C14H21N/c1-13(2,3)11-4-6-12(7-5-11)14(10-15)8-9-14/h4-7H,8-10,15H2,1-3H3 |
| InChI Key | NPGRBWSFTNYOED-UHFFFAOYSA-N |
| MDL Number | MFCD11898945 |
| Molecular Formula | C14H21N |
| Molecular Weight | 203.3232 |
| SMILES | NCC1(C2=CC=C(C(C)(C)C)C=C2)CC1 |
| Synonyms | 211315-08-1,
1-[4-(tert-Butyl)phenyl]cyclopropane-1-methanamine,
[1-(4-tert-butylphenyl)cyclopropyl]methanamine,
SCHEMBL5877395,
PKCBB_00287,
ZINC33487066,
AKOS009489527,
SY225608,
MFCD11898945 (95%),
|
| Complexity | 214 |
| 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 | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number