3-(Morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate

Base Information

• Chemical Name: 3-(Morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate
• CAS No.: 857283-67-1
• Molecular Formula: C12H18ClNO4
• Molecular Weight: 275.73
• Hs Code.: 2934999090
• European Community (EC) Number: 630-109-4
• DSSTox Substance ID: DTXSID70594507
• Mol file: 857283-67-1.mol

Synonyms:857283-67-1;3-(Morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate;3-(morpholin-4-ylmethyl)benzoic acid;hydrate;hydrochloride;BENZOIC ACID,3-(4-MORPHOLINYLMETHYL)-, HYDROCHLORIDE, HYDRATE (1:1:1);3-(Morpholinomethyl)benzoic acid hydrochloride hydrate;DTXSID70594507;DB-293747;CS-0127610;Benzoic acid,3-(4-morpholinylmethyl)-,hydrochloride,hydrate(1:1:1);3-[(Morpholin-4-yl)methyl]benzoic acid--hydrogen chloride--water (1/1/1)

Chemical Property of 3-(Morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate

Chemical Property:

• Vapor Pressure: 8.53E-10mmHg at 25°C
• Melting Point: 247 °C
• Boiling Point: 474.1 °C at 760 mmHg
• Flash Point: 240.5 °C
• PSA: 59.00000
• LogP: 1.89260
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 275.0924357
• Heavy Atom Count: 18
• Complexity: 238

Purity/Quality:

98%min ^*data from raw suppliers

3-(MORPHOLIN-4-YLMETHYL)BENZOIC ACID HYDROCHLORIDE HYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CC2=CC(=CC=C2)C(=O)O.O.Cl