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101491-75-2 | Carbamic acid, [3-(dimethylamino)propyl]-, 3-phenylpropyl ester, phosphate (1:1) (9CI)
CAS No: 101491-75-2 Catalog No: AG0004MJ MDL No:
Product Description
Catalog Number:
AG0004MJ
Chemical Name:
Carbamic acid, [3-(dimethylamino)propyl]-, 3-phenylpropyl ester, phosphate (1:1) (9CI)
CAS Number:
101491-75-2
Molecular Formula:
C15H27N2O6P
Molecular Weight:
362.3584
IUPAC Name:
dihydrogen phosphate;dimethyl-[3-(3-phenylpropoxycarbonylamino)propyl]azanium
InChI:
InChI=1S/C15H24N2O2.H3O4P/c1-17(2)12-7-11-16-15(18)19-13-6-10-14-8-4-3-5-9-14;1-5(2,3)4/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,16,18);(H3,1,2,3,4)
InChI Key:
KSKPDMOPUGFDBW-UHFFFAOYSA-N
SMILES:
[O-]P(=O)(O)O.C[NH+](CCCNC(=O)OCCCc1ccccc1)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.161g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
362.363g/mol
Monoisotopic Mass:
362.161g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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