Completing data — usually done within a minute
Basic information
- CAS
68889-61-2- Standard SMILES
CCCC(N)CCO- InChIKey
YZOKDOZIDBMHOK-UHFFFAOYSA-N- Molecular formula
- C6H15NO
- Average molar mass
- 117.19 g/mol
- Monoisotopic mass
- 117.1153641
Names & identifiers
- Preferred name
- 3-Aminohexan-1-ol
- IUPAC
- 3-aminohexan-1-ol
Names & synonyms
3-aminohexan-1-ol68889-61-2DTXSID50619388RefChem:276651DTXCID50570142862-425-51-Hexanol, 3-amino-MFCD03412696SCHEMBL1335718SCHEMBL6244126AKOS006278082EN300-315400
Show more names
N12794
Database identifiers
- CAS
68889-61-2- PubChem CID
- 21883780
- DTXSID
DTXSID50619388- EC Number
- 862-425-5
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 47
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
1 records
Compound notes
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