| CAS Number | 52853-55-1 |
| Catalog Number | AG00DAWQ(AGN-PC-00NZMO) |
| Chemical Name | N-Benzyl-2-methylprop-2-en-1-amine |
| IUPAC Name | N-benzyl-2-methylprop-2-en-1-amine |
| InChI | InChI=1S/C11H15N/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7,12H,1,8-9H2,2H3 |
| InChI Key | NDKYBYPWDCWAOD-UHFFFAOYSA-N |
| MDL Number | MFCD08691774 |
| Molecular Formula | C11H15N |
| Molecular Weight | 161.2435 |
| SMILES | CC(CNCC1=CC=CC=C1)=C |
| Synonyms | 52853-55-1,
N-Benzyl-2-methylprop-2-en-1-amine,
N-benzyl-2-methyl-2-propen-1-amine,
CHEMBRDG-BB 7507614,
Benzyl-(2-methyl-allyl)-amine,
SCHEMBL2073087,
CTK1G1927,
DTXSID10549470,
NDKYBYPWDCWAOD-UHFFFAOYSA-N,
ZINC6303861,
AKOS009058866,
MCULE-9199638747,
N-benzyl-2-methyl-prop-2-en-1-amine,
AJ-56052,
N-(2-Methyl-2-propenyl)benzenemethanamine,
Benzenemethanamine, N-(2-methyl-2-propenyl)-,
Y-4432,
Benzenemethanamine, N-(2-methyl-2-propen-1-yl)-,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.248g/mol |
| Monoisotopic Mass | 161.12g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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