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17400-34-9 | Carbamic acid, N-(3-aminopropyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 17400-34-9 Catalog No: AG001ZDW MDL No:MFCD00270153
Product Description
Catalog Number:
AG001ZDW
Chemical Name:
Carbamic acid, N-(3-aminopropyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
17400-34-9
Molecular Formula:
C11H17ClN2O2
Molecular Weight:
244.7179
MDL Number:
MFCD00270153
IUPAC Name:
benzyl N-(3-aminopropyl)carbamate;hydrochloride
InChI:
InChI=1S/C11H16N2O2.ClH/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9,12H2,(H,13,14);1H
InChI Key:
XKMBTMXQMDLSRB-UHFFFAOYSA-N
SMILES:
NCCCNC(=O)OCc1ccccc1.Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.719g/mol
Monoisotopic Mass:
244.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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