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168210-69-3 | 3-Pyrrolidinecarboxylic acid, 3-amino-1-(phenylmethyl)-, methyl ester, hydrochloride (1:2)
CAS No: 168210-69-3 Catalog No: AG001XX1 MDL No:
Product Description
Catalog Number:
AG001XX1
Chemical Name:
3-Pyrrolidinecarboxylic acid, 3-amino-1-(phenylmethyl)-, methyl ester, hydrochloride (1:2)
CAS Number:
168210-69-3
Molecular Formula:
C13H20Cl2N2O2
Molecular Weight:
307.2161
IUPAC Name:
methyl 3-amino-1-benzylpyrrolidine-3-carboxylate;dihydrochloride
InChI:
InChI=1S/C13H18N2O2.2ClH/c1-17-12(16)13(14)7-8-15(10-13)9-11-5-3-2-4-6-11;;/h2-6H,7-10,14H2,1H3;2*1H
InChI Key:
CVHILGWAVWMVLB-UHFFFAOYSA-N
SMILES:
COC(=O)C1(N)CCN(C1)Cc1ccccc1.Cl.Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
307.215g/mol
Monoisotopic Mass:
306.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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