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1319059-84-1 | 3-Pyrrolidinecarboxylic acid, 3-amino-1-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 1319059-84-1 Catalog No: AG000ZVV MDL No:MFCD23701535
Product Description
Catalog Number:
AG000ZVV
Chemical Name:
3-Pyrrolidinecarboxylic acid, 3-amino-1-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
1319059-84-1
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
MDL Number:
MFCD23701535
IUPAC Name:
3-amino-1-benzylpyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H16N2O2.ClH/c13-12(11(15)16)6-7-14(9-12)8-10-4-2-1-3-5-10;/h1-5H,6-9,13H2,(H,15,16);1H
InChI Key:
IRXCXBGNSDRTIV-UHFFFAOYSA-N
SMILES:
OC(=O)C1(N)CCN(C1)Cc1ccccc1.Cl
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.73g/mol
Monoisotopic Mass:
256.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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