(3-Chloro-2-hydroxypropyl)azanium chloride
Basic information
- CAS
62037-46-1- Standard SMILES
[Cl-].[NH3+]CC(O)CCl- InChIKey
ZCPJBHYNOFIAPJ-UHFFFAOYSA-N- Molecular formula
- C3H9Cl2NO
- Average molar mass
- 146.01 g/mol
- Monoisotopic mass
- 145.0061193
Overview
See also: 1-Amino-3-chloropropan-2-olhydrochloride (preferred).
Names & identifiers
- Preferred name
- (3-Chloro-2-hydroxypropyl)azanium chloride
- IUPAC
- (3-chloro-2-hydroxypropyl)azanium chloride
- English name
- 1-amino-3-chloropropan-2-olhydrochloride
- Molecular formula
- C3H9Cl2NO
- Molecular weight
- 146.01566
Names & synonyms
Einecs 263-383-51-AMINO-3-CHLOROPROPAN-2-OL HCL1-amino-3-chloropropan-2-olhydrochloride3-chloro-2-hydroxypropylamine hydrochloride3-Chloro-2-hydroxypropan-1-amine hydrochloride2-Propanol, 1-aMino-3-chloro-, hydrochloride (1:1)
Database identifiers
- CAS
62037-46-1- PubChem CID
- 85348641
Properties
Computed structural properties
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 34
Physicochemical properties
- Melting point
- 181 · 181-183 °C (decomp)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- White to off-white Solid
- optical activity
- 0.4 ° · 0.4°(C=0.01g/ml MEOH)
- InChI
- InChI=1S/C3H8ClNO.ClH/c4-1-3(6)2-5;/h3,6H,1-2,5H2;1H
- InChIKey
- ZCPJBHYNOFIAPJ-UHFFFAOYSA-N
- SMILES
- C(N)C(O)CCl.[H]Cl
- FDA UNII
- 12 B4S8T1V · J12B4S8T1V
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1-Amino-3-chloropropan-2-ol Hydrochloride is an antifertility agent.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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