5-Amino-4-methyl-1,4-pentanediol - CAS 1214097-96-7
Catalog: |
BB074618 |
Product Name: |
5-Amino-4-methyl-1,4-pentanediol |
CAS: |
1214097-96-7 |
Synonyms: |
5-Amino-4-methylpentane-1,4-diol; 5-AMINO-4-METHYL-1,4-PENTANEDIOL; 5-amino-4-methyl-1,4-pentanediol(SALTDATA: FREE) |
IUPAC Name: | 5-amino-4-methylpentane-1,4-diol |
Molecular Weight: | 133.19 |
Molecular Formula: | C6H15NO2 |
Canonical SMILES: | CC(CCCO)(CN)O |
InChI: | InChI=1S/C6H15NO2/c1-6(9,5-7)3-2-4-8/h8-9H,2-5,7H2,1H3 |
InChI Key: | MXEMWVYXAQVAGX-UHFFFAOYSA-N |
Complexity: | 77.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.110278721 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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