| CAS Number | 42245-37-4 |
| Catalog Number | AG00C8HW(AGN-PC-0WB3LA) |
| Chemical Name | 3-Methylpentan-1-amine |
| IUPAC Name | 3-methylpentan-1-amine |
| InChI | InChI=1S/C6H15N/c1-3-6(2)4-5-7/h6H,3-5,7H2,1-2H3 |
| InChI Key | JLAUIBFZZUVOBB-UHFFFAOYSA-N |
| MDL Number | MFCD08059958 |
| Molecular Formula | C6H15N |
| Molecular Weight | 101.1900 |
| SMILES | NCCC(C)CC |
| Synonyms | (3-Methylpentyl)amine,
42245-37-4,
3-methylpentan-1-amine,
3-Methylpentylamine,
1-amino-3-methylpentane,
AC1MHQC4,
SCHEMBL64897,
CTK4I5922,
DTXSID30388888,
JLAUIBFZZUVOBB-UHFFFAOYSA-N,
(3-Methylpentyl)amine, AldrichCPR,
MFCD08059958,
AKOS010968674,
DA-18602,
FT-0741935,
Y-3511,
1-Pentanamine, 3-methyl-,
CID3055957,
|
| Complexity | 35.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 101.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 101.193g/mol |
| Monoisotopic Mass | 101.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H319
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number