主记录
1-cyclopropylimidazole
- CAS
- 1352076-45-9
- PubChem CID
- 58573721
- SMILES
- C[C@@]1(C[C@@H]([C@@H](OC1=O)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl)CC=C
- 分子式
- C21H20Cl2O2
- 分子量
- 375.295
- 精确分子量
- 374.084
- InChI
- InChI=1S/C21H20Cl2O2/c1-3-11-21(2)13-18(15-5-4-6-17(23)12-15)19(25-20(21)24)14-7-9-16(22)10-8-14/h3-10,12,18-19H,1,11,13H2,2H3/t18-,19+,21+/m1/s1
- InChIKey
- XNUSQYHQXBBQMZ-DYXWJJEUSA-N
- LogP
- 6.3476
- TPSA
- 26.3
名称与别名
- 1-cyclopropylimidazole
- SCHEMBL9991178
- SCHEMBL29525073
- XNUSQYHQXBBQMZ-DYXWJJEUSA-N
- ZINC147211929
- CS-0011962
- J3.101.976A
- (3S,5R,6R)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyltetrahydro-2H-pyran-2-one
- 1352076-45-9
- (3S,5R,6R)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)tetrahydro-3-methyl-3-(2-propen-1-yl)-2H-pyran-2-one
- (3S,5R,6R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyloxan-2-one
- (3S,5R,6R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-(prop-2-en-1-yl)oxan-2-one
- (3S)-3beta-Allyl-3-methyl-5alpha-(3-chlorophenyl)-6alpha-(4-chlorophenyl)tetrahydro-2H-pyran-2-one