| CAS Number | 1039987-39-7 |
| Catalog Number | AG00JWI2(AGN-PC-046TUC) |
| Chemical Name | N1-(1-Phenylethyl)benzene-1,2-diamine |
| IUPAC Name | 2-N-(1-phenylethyl)benzene-1,2-diamine |
| InChI | InChI=1S/C14H16N2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h2-11,16H,15H2,1H3 |
| InChI Key | MQWPQVBEANBHRS-UHFFFAOYSA-N |
| MDL Number | MFCD11187008 |
| Molecular Formula | C14H16N2 |
| Molecular Weight | 212.2902 |
| SMILES | CC(C1=CC=CC=C1)NC1=C(N)C=CC=C1 |
| Synonyms | N1-(1-Phenylethyl)benzene-1,2-diamine,
1039987-39-7,
1-N-(1-Phenylethyl)benzene-1,2-diamine,
SCHEMBL8353923,
KS-00001PO8,
MFCD11187008,
AKOS009237745,
MCULE-2537121070,
F1911-3701,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.296g/mol |
| Monoisotopic Mass | 212.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number