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1159823-04-7 | 1-Piperidinecarboxylic acid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1159823-04-7 Catalog No: AG000HAZ MDL No:MFCD11101345
Product Description
Catalog Number:
AG000HAZ
Chemical Name:
1-Piperidinecarboxylic acid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1159823-04-7
Molecular Formula:
C11H23ClN2O2
Molecular Weight:
250.7655
MDL Number:
MFCD11101345
IUPAC Name:
tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12;/h9H,4-8,12H2,1-3H3;1H
InChI Key:
PJABFBQXCLGLSK-UHFFFAOYSA-N
SMILES:
NCC1CCCCN1C(=O)OC(C)(C)C.Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.145g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.767g/mol
Monoisotopic Mass:
250.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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