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747-30-8 | sulfamic acid, cyclohexyl-, compd. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one(1:1)
CAS No: 747-30-8 Catalog No: AG005HXP MDL No:
Product Description
Catalog Number:
AG005HXP
Chemical Name:
sulfamic acid, cyclohexyl-, compd. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one(1:1)
CAS Number:
747-30-8
Molecular Formula:
C19H30N4O4S
Molecular Weight:
410.5309
IUPAC Name:
cyclohexylsulfamic acid;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
InChI:
InChI=1S/C13H17N3O.C6H13NO3S/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;8-11(9,10)7-6-4-2-1-3-5-6/h5-9H,1-4H3;6-7H,1-5H2,(H,8,9,10)
InChI Key:
NPCNIYOIXLZTQI-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)NC1CCCCC1.CN(c1c(C)n(n(c1=O)c1ccccc1)C)C
UNII:
RM5BP192F9
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.199g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
410.533g/mol
Monoisotopic Mass:
410.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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