| CAS Number | 4746-31-0 |
| Catalog Number | AG00PWNQ(AGN-PC-00OO3T) |
| Chemical Name | 5-Methylhexan-1-amine |
| IUPAC Name | 5-methylhexan-1-amine |
| InChI | InChI=1S/C7H17N/c1-7(2)5-3-4-6-8/h7H,3-6,8H2,1-2H3 |
| InChI Key | FBKYCBKRNDJLCX-UHFFFAOYSA-N |
| MDL Number | MFCD09923499 |
| Molecular Formula | C7H17N |
| Molecular Weight | 115.2166 |
| SMILES | CC(CCCCN)C |
| Synonyms | 5-methylhexan-1-amine,
4746-31-0,
Isoheptanamine,
5-Methyl-1-hexanamine,
1-amino-5-methylhexane,
SCHEMBL104004,
CTK1D8169,
DTXSID70570720,
ZINC34514739,
AKOS009480563,
MCULE-3591523204,
NE46381,
NS-01020,
EN300-83415,
4-methyl-1-pentanamine,
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| Complexity | 41.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.22g/mol |
| Monoisotopic Mass | 115.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number