701977-22-2
3-[(1R,2R)-2-氨基-1-[(4-氯苯基)甲基]丙基]-苯甲腈盐酸盐(1:1)
Name
3-[(1R,2R)-2-氨基-1-[(4-氯苯基)甲基]丙基]-苯甲腈盐酸盐(1:1)
pro_formula
C17 H17 Cl N2 . Cl H
pro_molWeight
321.249
1Identification
【Name】
3-[(1R,2R)-2-氨基-1-[(4-氯苯基)甲基]丙基]-苯甲腈盐酸盐(1:1)
【CAS】
【MDL】
MFCD11042326
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H17 Cl N2 . Cl H
【pro_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】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:2
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-[(1R,2R)-2-氨基-1-[(4-氯苯基)甲基]丙基]-苯甲腈盐酸盐(1:1).cml
quick_release
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