(3S)-3-aminohexan-1-ol hydrochloride
Basic information
- CAS
68889-62-3- Standard SMILES
CCC[C@H](N)CCO.Cl- InChIKey
LWUKXXYWSXUWIF-RGMNGODLSA-N- Molecular formula
- C6H16ClNO
- Average molar mass
- 153.65 g/mol
- Monoisotopic mass
- 153.0920418
Names & identifiers
- Preferred name
- (3S)-3-aminohexan-1-ol hydrochloride
- IUPAC
- (3S)-3-aminohexan-1-ol;hydrochloride
- English name
- (S)-3-Aminohexan-1-ol hydrochloride
- Molecular formula
- C6H16ClNO
- Molecular weight
- 153.65
Names & synonyms
(3S)-3-AMINOHEXAN-1-OL HYDROCHLORIDERefChem:4013701-Hexanol, 3-amino-, hydrochloride, (S)-862-645-1(S)-3-Aminohexan-1-ol hydrochloride68889-62-3(S)-3-Aminohexan-1-ol HClMFCD23701471(3S)-3-aminohexan-1-ol;hydrochlorideSCHEMBL22322358DTXSID10855669(S)-3-Amino-1-hexanol Hydrochloride
Show more names
(S)-3-aminohexylolhydrochloride(3S)-3-aminohexan-1-ol:hydrochloride(S)-3-AMINOHEXAN-1-OL HYDROCHLORIDE ISO 9001：2015 REACH
AKOS016009120DS-4229I11080(3S)-3-Aminohexan-1-ol--hydrogen chloride (1/1)(S)-3-Aminohexan-1-olhydrochlo(S)-3-Aminohexan-1-olhydrochlorideSY117417(S)?-3-?Amino-1-?hexanol Hydrochloride
Database identifiers
- CAS
68889-62-3- PubChem CID
- 71463751
- DTXSID
DTXSID10855669- EC Number
- 862-645-1
Properties
Computed structural properties
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 47.8
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- White to light yellow Solid
- optical activity
- -0.1 ° · -0.10°(C=0.01g/mL, MEOH, 20°C, 589nm)
- InChI
- InChI=1/C6H15NO.ClH/c1-2-3-6(7)4-5-8;/h6,8H,2-5,7H2,1H3;1H/t6-;/s3
- InChIKey
- LWUKXXYWSXUWIF-UZHXKHNSNA-N
- SMILES
- [C@@H](N)(CCO)CCC.Cl |&1:0,r|
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses(S)-3-Aminohexan-1-ol hydrochloride (CAS# 68889-62-3) is used as a reagent in novel pyrimidine TLR7/8 dual agonists to treat hepatitis B.
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Compound notes
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