| CAS Number | 368891-61-6 |
| Catalog Number | AG0077NK(AGN-PC-07AGJY) |
| Chemical Name | N-(prop-2-en-1-yl)-2-(propan-2-yl)aniline |
| IUPAC Name | 2-propan-2-yl-N-prop-2-enylaniline |
| InChI | InChI=1S/C12H17N/c1-4-9-13-12-8-6-5-7-11(12)10(2)3/h4-8,10,13H,1,9H2,2-3H3 |
| InChI Key | OOHWWTARWYIENI-UHFFFAOYSA-N |
| MDL Number | MFCD16470220 |
| Molecular Formula | C12H17N |
| Molecular Weight | 175.2701 |
| SMILES | CC(C1=C(NCC=C)C=CC=C1)C |
| Synonyms | 368891-61-6,
N-Allyl-2-isopropylaniline,
N-(prop-2-en-1-yl)-2-(propan-2-yl)aniline,
BENZENAMINE, 2-(1-METHYLETHYL)-N-2-PROPENYL-,
CTK4H7350,
DTXSID90667500,
ZINC39104820,
AKOS011420052,
NE50663,
2-(Propan-2-yl)-N-(prop-2-en-1-yl)aniline,
Benzenamine,2- -N-2-propenyl-,
Benzenamine, 2-(1-methylethyl)-N-2-propenyl- (9CI),
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.275g/mol |
| Monoisotopic Mass | 175.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number