| CAS Number | 93668-14-5 |
| Catalog Number | AG00GVF5(AGN-PC-0W39WZ) |
| Chemical Name | [3-(1H-Imidazol-1-yl)butyl]amine |
| IUPAC Name | 3-imidazol-1-ylbutan-1-amine |
| InChI | InChI=1S/C7H13N3/c1-7(2-3-8)10-5-4-9-6-10/h4-7H,2-3,8H2,1H3 |
| InChI Key | WAZALYDSTDIFIY-UHFFFAOYSA-N |
| MDL Number | MFCD13188590 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | N1(C(C)CCN)C=CN=C1 |
| Synonyms | 93668-14-5,
[3-(1H-Imidazol-1-yl)butyl]amine,
3-(1H-Imidazol-1-yl)butan-1-amine,
3-(1H-IMIDAZOL-1-YL)-1-BUTANAMINE,
gamma-methyl-1H-imidazole-1-propanamine,
3-Imidazol-1-ylbutylamine,
SCHEMBL4950866,
3-(1H-imidazol-l-yl)butanamine,
DTXSID70553174,
3-(1H-imidazol-1-yl)butanamine,
WAZALYDSTDIFIY-UHFFFAOYSA-N,
3-(imidazol-1-yl)butan-1-amine,
ALBB-013451,
3663AF,
MFCD13188590,
AKOS005174184,
FT-0683725,
3-(1H-imidazol-1-yl)-1-butanamine(SALTDATA,
Y-7374,
I05-902,
C7H13N3,
|
| Complexity | 94.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.202g/mol |
| Monoisotopic Mass | 139.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number