701977-22-2
BENZONITRILE, 3-[(1R,2R)-2-AMINO-1-[(4-CHLOROPHENYL)METHYL]PROPYL]-, MONOHYDROCHLORIDE, REL-
Name
BENZONITRILE, 3-[(1R,2R)-2-AMINO-1-[(4-CHLOROPHENYL)METHYL]PROPYL]-, MONOHYDROCHLORIDE, REL-
Formula
C17 H17 Cl N2 . Cl H
MolWeight
321.249
1Identification
【Name】
BENZONITRILE, 3-[(1R,2R)-2-AMINO-1-[(4-CHLOROPHENYL)METHYL]PROPYL]-, MONOHYDROCHLORIDE, REL-
【CAS】
【MDL】
MFCD11042326
【English Synonyms】
【Formula】
C17 H17 Cl N2 . Cl H
【MolWeight】
321.249
【Inchi】
InChI=1S/C17H17ClN2.ClH/c1-12(20)17(10-13-5-7-16(18)8-6-13)15-4-2-3-14(9-15)11-19;/h2-9,12,17H,10,20H2,1H3;1H/t12-,17+;/m1./s1
【InChIKey】
InChIKey=YPCMLZCPZCPGCT-KELGLJHESA-N
【SMILES】
C[C@H]([C@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)N.Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZONITRILE, 3-[(1R,2R)-2-AMINO-1-[(4-CHLOROPHENYL)METHYL]PROPYL]-, MONOHYDROCHLORIDE, REL-.cml
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