Basic information
- CAS
7426-71-3- Standard SMILES
CCCC(CO)(CO)CO- InChIKey
SZSSMFVYZRQGIM-UHFFFAOYSA-N- Molecular formula
- C7H16O3
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.10994437
Names & identifiers
- Preferred name
- Butylidynetrimethanol
- IUPAC
- 2-(hydroxymethyl)-2-propylpropane-1,3-diol
- English name
- butylidynetrimethanol
- Molecular formula
- C7H16O3
- Molecular weight
- 148.2
Names & synonyms
Butylidynetrimethanol2-(hydroxymethyl)-2-propylpropane-1,3-diol7426-71-3S5Z4UV3PFW1,3-Propanediol, 2-(hydroxymethyl)-2-propyl-NSC-97516trimethylolbutaneNSC97516EINECS 231-065-5UNII-S5Z4UV3PFW2-(Hydroxymethyl)-2-propyl-1,3-propanediolSCHEMBL39090
Show more names
1,1,1-Tris(hydroxymethyl)butane
DTXSID10225267NSC 975162-propyl-2-hydroxymethyl-1,3-propanediol2-hydroxymethyl-2-n-propylpropan-1,3-diol2-n-propyl-2-hydroxymethyl-propan-1,3-diolNS00037605InChI=1/C7H16O3/c1-2-3-7(4-8,5-9)6-10/h8-10H,2-6H2,1H
Database identifiers
- CAS
7426-71-3- PubChem CID
- 81928
- DTXSID
DTXSID10225267- UNII
- S5Z4UV3PFW
- EC Number
- 231-065-5
- Nikkaji
- J278.832B
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 70.7
Physicochemical properties
- FDA UNII
- 5 Z4UV3PFW · S5Z4UV3PFW
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
13 records
Compound notes
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