Basic information
- CAS
235423-04-8- Standard SMILES
CC1(C)C[C@H](N)c2ccccc2O1- InChIKey
YSTIIIRGSQEQNH-VIFPVBQESA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- (S)-2,2-Dimethylchroman-4-amine
- IUPAC
- (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine
- English name
- (S)-2,2-dimethylchroman-4-amine
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
(S)-2,2-Dimethylchroman-4-amine235423-04-8(4S)-2,2-Dimethyl-3,4-dihydro-2H-1-benzopyran-4-amineMFCD11516202SCHEMBL22997112SCHEMBL29757492(4S)-2,2-dimethylchroman-4-amineBS-47077CS-0186162EN300-702106F53096(4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine
Show more names
(S)-2,2-Dimethylchroman-4-amine - [D91712]F626335(S)-2,2-dimethyl-3,4-dihydro-2H-chromen-4-amine(4S)-3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-4-amine2H-1-Benzopyran-4-amine, 3,4-dihydro-2,2-dimethyl-, (4S)-
Database identifiers
- CAS
235423-04-8- PubChem CID
- 15338704
- Nikkaji
- J1.108.595D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 249.8 · 249.8±39.0 °C(Predicted)
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.9 · 8.90±0.40(Predicted)
- Appearance
- Colorless to light yellow Liquid
Chemistry & industry
Suppliers12 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…