| CAS Number | 1334146-16-5 |
| Catalog Number | AG00J2JW |
| Chemical Name | [1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methanamine dihydrochloride |
| IUPAC Name | (1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C11H15N3.2ClH/c1-8(2)14-10-6-4-3-5-9(10)13-11(14)7-12;;/h3-6,8H,7,12H2,1-2H3;2*1H |
| InChI Key | KNPTXRSYYOTEFX-UHFFFAOYSA-N |
| MDL Number | MFCD19686236 |
| Molecular Formula | C11H17Cl2N3 |
| Molecular Weight | 262.1788 |
| SMILES | Cl.Cl.CC(N1C2=C(C=CC=C2)N=C1CN)C |
| Synonyms | (1-isopropyl-1H-benzo[d]imidazol-2-yl)methanamine dihydrochloride,
1334146-16-5,
[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methanamine dihydrochloride,
[(1-ISOPROPYL-1H-BENZIMIDAZOL-2-YL)METHYL]AMINE DIHYDROCHLORIDE,
F2101-0202,
1-(1-Isopropyl-1H-benzimidazol-2-yl)methanamine dihydrochloride,
MFCD19686236,
AKOS026677271,
MCULE-1072862576,
NE16535,
EN300-79123,
920464-24-0,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.178g/mol |
| Monoisotopic Mass | 261.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number