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101948-24-7 | Pentanimidic acid, 4-methyl-, methyl ester, hydrochloride (1:1)
CAS No: 101948-24-7 Catalog No: AG000618 MDL No:
Product Description
Catalog Number:
AG000618
Chemical Name:
Pentanimidic acid, 4-methyl-, methyl ester, hydrochloride (1:1)
CAS Number:
101948-24-7
Molecular Formula:
C7H16ClNO
Molecular Weight:
165.6610
IUPAC Name:
methyl 4-methylpentanimidate;hydrochloride
InChI:
InChI=1S/C7H15NO.ClH/c1-6(2)4-5-7(8)9-3;/h6,8H,4-5H2,1-3H3;1H
InChI Key:
OYIOSQOAXAUXAY-UHFFFAOYSA-N
SMILES:
COC(=N)CCC(C)C.Cl
Properties
Complexity:
88.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.092g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.661g/mol
Monoisotopic Mass:
165.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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