Basic information
- CAS
17976-80-6- Standard SMILES
N#CCCCCCCO- InChIKey
XAZAHJGDOHGFBV-UHFFFAOYSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
- Monoisotopic mass
- 127.09971404
Names & identifiers
- Preferred name
- 6-Cyano-1-hexanol
- IUPAC
- 7-hydroxyheptanenitrile
- English name
- 7-hydroxyheptane-1-nitrile
- Molecular formula
- C7H13NO
- Molecular weight
- 127.18
Names & synonyms
7-Hydroxyheptanenitrile6-Cyano-1-hexanolHeptanenitrile, 7-hydroxy-7-Hydroxyheptane-1-nitrile17976-80-6omega-Cyano-1-hexanol.omega.-Cyano-1-hexanolUJ99D58FBBEINECS 241-896-5NSC 87872NSC-87872DTXSID6066288
Show more names
EC 241-896-5RefChem:542003DTXCID9035707NSC87872UNII-UJ99D58FBBSCHEMBL1996340SCHEMBL2299758SCHEMBL6591080
Database identifiers
- CAS
17976-80-6- PubChem CID
- 87385
- DTXSID
DTXSID6066288- UNII
- UJ99D58FBB
- EC Number
- 241-896-5
- Nikkaji
- J260.812J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 92.3
Physicochemical properties
- FDA UNII
- 99 D58FBB · UJ99D58FBB
- EPA Substance Registry System
- 7 · Heptanenitrile, 7-hydroxy- (17976-80-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 24-07-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/10011
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptanenitrile, 7-hydroxy-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers2 total
上海拉曼达医药科技有限公司021-19921844 19921844785 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
7 records
Compound notes
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