4-(Diphenylmethyl)-1-piperazineethanol

HCID 4742573

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Basic information

CAS: 10527-64-7
Standard SMILES: OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey: QEYZAHKHYSGDJK-UHFFFAOYSA-N
Molecular formula: C19H24N2O
Average molar mass: 296.4 g/mol
Monoisotopic mass: 296.18886339

Names & identifiers

Preferred name: 4-(Diphenylmethyl)-1-piperazineethanol
IUPAC: 2-(4-benzhydrylpiperazin-1-yl)ethanol
English name: 2-(4-benzhydrylpiperazin-1-yl)ethanol
Molecular formula: C19H24N2O
Molecular weight: 296.41

Names & synonyms

10527-64-7Cetirizine alcohol4-benzhydryl-1-piperazineethanol4-(Diphenylmethyl)-1-piperazineethanol1-Piperazineethanol, 4-(diphenylmethyl)-9AMR7XC6Q8RefChem:1985962-(4-benzhydrylpiperazin-1-yl)ethanol1-diphenylmethyl-4-(2-hydroxyethyl)piperazine2-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-ol2-(4-benzhydrylpiperazin-1-yl)ethan-1-olUNII-9AMR7XC6Q8

Show more names

Cetirizine Impurity 2Manidipine Impurity 102-(4-benhdryl-piperazin-1-yl)-enthanol2-[4-(Diphenylmethyl)piperazin-1-yl]ethanolUSP Cetirizine Related Compound B (free base)Cetirizine USP-RC-B(free base)/Manidipine Impurity 1

MFCD06742676CETIRIZINE IMPURITY 46SCHEMBL1491229SCHEMBL7381083SCHEMBL8629042CHEMBL1254795QEYZAHKHYSGDJK-UHFFFAOYSA-NDTXSID401283035

Database identifiers

CAS: 10527-64-7
PubChem CID: 4742573
DTXSID: DTXSID401283035
ChEMBL: CHEMBL1254795
UNII: 9AMR7XC6Q8
EC Number: 812-114-5
Nikkaji: J313.863A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 285

Physicochemical properties

Boiling point: 180 °C · 180 °C(Press: 0.01 Torr)
Density: 1.115 · 1.115±0.06 g/cm3(Predicted)
vapor pressure: 1.333 Pa · 1.333Pa at 180℃
pka: 14.96 · 14.96±0.10(Predicted)
FDA UNII: 9 AMR7XC6Q8 · 9AMR7XC6Q8
Symbol(GHS): 7 · GHS07
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (20%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P330, P331, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.