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137649-92-4 | Carbamic acid, (3-phenylpropyl)(2-piperidinylmethyl)-, 1,1-dimethylethyl ester, monohydrochloride (9CI)
CAS No: 137649-92-4 Catalog No: AG0013OJ MDL No:
Product Description
Catalog Number:
AG0013OJ
Chemical Name:
Carbamic acid, (3-phenylpropyl)(2-piperidinylmethyl)-, 1,1-dimethylethyl ester, monohydrochloride (9CI)
CAS Number:
137649-92-4
Molecular Formula:
C20H33ClN2O2
Molecular Weight:
368.9412
IUPAC Name:
tert-butyl N-(3-phenylpropyl)-N-(piperidin-2-ylmethyl)carbamate;hydrochloride
InChI:
InChI=1S/C20H32N2O2.ClH/c1-20(2,3)24-19(23)22(16-18-13-7-8-14-21-18)15-9-12-17-10-5-4-6-11-17;/h4-6,10-11,18,21H,7-9,12-16H2,1-3H3;1H
InChI Key:
VDTNDINRAXXTJF-UHFFFAOYSA-N
SMILES:
O=C(N(CC1CCCCN1)CCCc1ccccc1)OC(C)(C)C.Cl
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.223g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
368.946g/mol
Monoisotopic Mass:
368.223g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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