Basic information
- CAS
158391-59-4- Standard SMILES
Cc1cc(C)cc([C@H](N)[C@@H](N)c2cc(C)cc(C)c2)c1- InChIKey
POWCVEXEFGJWNW-ROUUACIJSA-N- Molecular formula
- C18H24N2
- Average molar mass
- 268.4 g/mol
Names & identifiers
- Preferred name
- (1S,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diamine
- IUPAC
- (1S,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diamine
- English name
- 1,2-Ethanediamine, 1,2-bis(3,5-dimethylphenyl)-, (1S,2S)-
- Molecular formula
- C18H24N2
- Molecular weight
- 268.4
Names & synonyms
(1S,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diamine158391-59-4AS-85845CS-0134876H556231,2-Ethanediamine, 1,2-bis(3,5-dimethylphenyl)-, (1S,2S)-
Database identifiers
- CAS
158391-59-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 411.4 · 411.4±40.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- pka
- 9.87 · 9.87±0.10(Predicted)
Chemistry & industry
Suppliers10 total
绍兴赜军生物医药科技有限公司0575-82126188 15395856318 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
上海安屹诺生物医药科技有限公司021-34625901 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Aladdin Scientific[email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…