| CAS Number | 1096856-98-2 |
| Catalog Number | AG00969K(AGN-PC-0WO7OE) |
| Chemical Name | 1-(4-Tert-butylphenyl)cyclopropan-1-amine |
| IUPAC Name | 1-(4-tert-butylphenyl)cyclopropan-1-amine |
| InChI | InChI=1S/C13H19N/c1-12(2,3)10-4-6-11(7-5-10)13(14)8-9-13/h4-7H,8-9,14H2,1-3H3 |
| InChI Key | FGMYLUCDARKECM-UHFFFAOYSA-N |
| MDL Number | MFCD11899002 |
| Molecular Formula | C13H19N |
| Molecular Weight | 189.2967 |
| SMILES | CC(C1=CC=C(C2(CC2)N)C=C1)(C)C |
| Synonyms | 1-(4-tert-butylphenyl)cyclopropan-1-amine,
1096856-98-2,
1-(4-(tert-Butyl)phenyl)cyclopropanamine,
1-[4-(tert-Butyl)phenyl]cyclopropanamine,
1-(4-tert-butylphenyl)cyclopropanamine,
SCHEMBL18884520,
BBL035716,
MFCD11899002,
STL442949,
ZINC33487137,
AKOS009489533,
MCULE-9513176151,
NE53684,
SY145525,
MFCD11899002 (95%),
Z1820077324,
|
| Complexity | 202 |
| 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 | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number