Basic information
- CAS
116747-79-6- Standard SMILES
NC(CCCO)(CCCO)CCCO- InChIKey
HACQKMWYOKGLET-UHFFFAOYSA-N- Molecular formula
- C10H23NO3
- Average molar mass
- 205.29 g/mol
- Monoisotopic mass
- 205.1677936
Overview
See also: 4-Amino-4-(3-hydroxypropyl)-1,7-heptanediol (annotation moved to).
Names & identifiers
- Preferred name
- 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol
- IUPAC
- 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol
- English name
- BIS-HOMOTRIS
- Molecular formula
- C10H23NO3
- Molecular weight
- 205.29
Names & synonyms
4-amino-4-(3-hydroxypropyl)heptane-1,7-diolBis-homotris116747-79-6bishomotrisSCHEMBL414798DTXSID90399197H57093InChI=1/C10H23NO3/c11-10(4-1-7-12,5-2-8-13)6-3-9-14/h12-14H,1-9,11Htris(3-hydroxypropyl)aminomethane4-AMINO-4-(3-HYDROXYPROPYL)-1,7-HEPTANEDIOL1,7-Heptanediol, 4-amino-4-(3-hydroxypropyl)-4-Amino-4-(3-hydroxypropyl)-1,7-heptanediol 97%
Database identifiers
- CAS
116747-79-6- PubChem CID
- 4090108
- DTXSID
DTXSID90399197- Nikkaji
- J1.675.741A
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Melting point
- 108 · 108-110 °C (lit.)
- Boiling point
- 220 · 220-235 °C/0.5 mmHg (lit.)
- Density
- 1.0405 · 1.0405 (rough estimate)
- refractive index
- 1.4189 · 1.4189 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers11 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
重庆卡兰医药有限公司[email protected]
武汉泰易成生化药业有限公司027-88320699 ;15307126061 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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