| CAS Number | 923877-86-5 |
| Catalog Number | AG00IH4F |
| Chemical Name | {1-[4-(1H-1,3-benzodiazol-1-yl)phenyl]ethyl}(methyl)amine |
| IUPAC Name | 1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine |
| InChI | InChI=1S/C16H17N3/c1-12(17-2)13-7-9-14(10-8-13)19-11-18-15-5-3-4-6-16(15)19/h3-12,17H,1-2H3 |
| InChI Key | ULWIJXBTSGBXFE-UHFFFAOYSA-N |
| MDL Number | MFCD08691334 |
| Molecular Formula | C16H17N3 |
| Molecular Weight | 251.3263 |
| SMILES | CNC(C1=CC=C(N2C3=C(C=CC=C3)N=C2)C=C1)C |
| Synonyms | 923877-86-5,
{1-[4-(1H-1,3-benzodiazol-1-yl)phenyl]ethyl}(methyl)amine,
N-{1-[4-(1H-benzimidazol-1-yl)phenyl]ethyl}-N-methylamine,
(1-[4-(1H-1,3-Benzodiazol-1-yl)phenyl]ethyl)(methyl)amine,
AC1Q40SK,
CTK6I4603,
MFCD08691334,
AKOS008083555,
MCULE-7675523190,
NE45035,
EN300-26417,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.333g/mol |
| Monoisotopic Mass | 251.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number