Basic information
- CAS
94134-94-8- Standard SMILES
CC1CC(O)CN1- InChIKey
AGTDSFXRPBMMGQ-UHFFFAOYSA-N- Molecular formula
- C5H11NO
- Average molar mass
- 101.15 g/mol
- Monoisotopic mass
- 101.08406397
Names & identifiers
- Preferred name
- 5-Methylpyrrolidin-3-ol
- IUPAC
- 5-methylpyrrolidin-3-ol
- English name
- 3-Pyrrolidinol, 5-methyl-
- Molecular formula
- C5H11NO
- Molecular weight
- 101.15
Names & synonyms
5-methylpyrrolidin-3-ol94134-94-82-methyl-4-hydroxypyrrolidine3-Pyrrolidinol, 5-methyl-2H59UFW3JO3-hydroxy-5-methylpyrrolidineUNII-2H59UFW3JOEINECS 310-142-8MFCD19665354TIAZAMINA5-Methyl-3-pyrrolidinolSCHEMBL820083
Show more names
trans-5-methylpyrrolidin-3-olSCHEMBL1282791SCHEMBL5868662DTXSID70916346AKOS013475977SB45690SB47386DB-155517
Database identifiers
- CAS
94134-94-8- PubChem CID
- 21973779
- DTXSID
DTXSID70916346- UNII
- 2H59UFW3JO
- EC Number
- 310-142-8
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 65.1
Physicochemical properties
- Boiling point
- 178.3 · 178.3±15.0 °C(Predicted)
- Density
- 0.994 · 0.994±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Oil
- pka
- 14.92 · 14.92±0.40(Predicted)
- color
- Brown
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - MISCELLANEOUS
- LogP
- -0.135 · -0.135 (est)
- FDA UNII
- 2 H59UFW3JO · 2H59UFW3JO
Chemistry & industry
Suppliers5 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
5 records
Compound notes
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