CN(C)CC(CC(=O)OCC1=CC=CC=C1)N.Cl.Cl
CAS: 1059704-57-2
Nombre: benzyl (3R)-3-amino-4-(dimethylamino)butanoate;dihydrochloride
SMILES: CN(C)CC(CC(=O)OCC1=CC=CC=C1)N.Cl.Cl

Molecular Processing

Molecular formula
C13H22Cl2N2O2
Molecular weight
309.24
Exact mass
308.1058
XLogP
1.85
TPSA
55.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
3
Fraction Csp3
0.462
Molar refractivity
81.88

Supplementary Information

InChIKey: NGCJFDXSIDJWIR-CURYUGHLSA-N
Sinónimos
1059704-57-2(R)-benzyl 3-amino-4-(dimethylamino)butanoate dihydrochlorideBenzyl (R)-3-Amino-4-(dimethylamino)butanoate Dihydrochloride(R)-3-Amino-4-dimethylaminobutanoic Acid Benzyl Ester DihydrochlorideSCHEMBL1007561NGCJFDXSIDJWIR-CURYUGHLSA-NSY291783(R)-3-amino-4-dimethylamino butyric acid benzyl ester dihydrochloride(R)-3-amino-4-dimethylamino-butyric acid benzyl ester dihydrochloride(3R)?-3-?Amino-?4-?(dimethylamino)-butanoic Acid Phenylmethyl Ester Hydrochloride; (R)-3-Amino-4-dimethylaminobutanoic acid benzyl ester dihydrochloride
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