Basic information
- CAS
1007-48-3- Standard SMILES
CC(=O)OCc1ccncc1- InChIKey
ZGXKOLGDFWQRMM-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 4-Pyridinemethanol, 4-acetate
- IUPAC
- pyridin-4-ylmethyl acetate
- English name
- 4-ACETOXYMETHYLPYRIDINE
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
1007-48-3Pyridine-4-methyl acetate4-Pyridinemethanol, 4-acetateQMR46B9CJSNSC-403921DTXSID20143463RefChem:1071548DTXCID3065954213-755-8pyridin-4-ylmethyl acetate4-ACETOXYMETHYLPYRIDINE4-Pyridylmethyl acetate
Show more names
NSC 403921ZGXKOLGDFWQRMM-UHFFFAOYSA-Npyridin-4-ylmethyl ethanoate
4-(Acetoxymethyl)pyridine4-Picolyl acetate4-Pyridylcarbinol acetate (ester)4-Pyridinemethanol, acetate (ester)MFCD03095354(pyridin-4-yl)methyl acetate4-Pyridinemethanol acetateAcetic acid 4-pyridinylmethyl ester
Database identifiers
- CAS
1007-48-3- PubChem CID
- 70511
- DTXSID
DTXSID20143463- UNII
- QMR46B9CJS
- EC Number
- 213-755-8
- Nikkaji
- J47.148H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 85 · 85-95 °C(Press: 4 Torr)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- pka
- 4.99 · 4.99±0.26(Predicted)
- FDA UNII
- 46 B9CJS · QMR46B9CJS
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
海蔚化学86-21-51086038 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…