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101491-78-5

101491-78-5 | Carbamic acid, (1,1-diphenylbutyl)-, 2-(dimethylamino)ethyl ester, monohydrochloride (9CI)

CAS No: 101491-78-5 Catalog No: AG0004MI MDL No:

Product Description

Catalog Number:
AG0004MI
Chemical Name:
Carbamic acid, (1,1-diphenylbutyl)-, 2-(dimethylamino)ethyl ester, monohydrochloride (9CI)
CAS Number:
101491-78-5
Molecular Formula:
C21H29ClN2O2
Molecular Weight:
376.9202
IUPAC Name:
2-(1,1-diphenylbutylcarbamoyloxy)ethyl-dimethylazanium;chloride
InChI:
InChI=1S/C21H28N2O2.ClH/c1-4-15-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)22-20(24)25-17-16-23(2)3;/h5-14H,4,15-17H2,1-3H3,(H,22,24);1H
InChI Key:
ZUAZLBFYMXVODD-UHFFFAOYSA-N
SMILES:
CCCC(c1ccccc1)(c1ccccc1)NC(=O)OCCN(C)C.Cl

Properties

Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.192g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
376.925g/mol
Monoisotopic Mass:
376.192g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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