Bicine

HCID 8761

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Basic information

CAS: 150-25-4
Standard SMILES: O=C(O)CN(CCO)CCO
InChIKey: FSVCELGFZIQNCK-UHFFFAOYSA-N
Molecular formula: C6H13NO4
Average molar mass: 163.17 g/mol
Monoisotopic mass: 163.0844579

Overview

N,N-bis(2-hydroxyethyl)glycine is a bicine that is a Good's buffer substance, pKa = 8.35 at 20 C. It is a conjugate acid of a [bis(2-hydroxyethyl)amino]acetate. It is a tautomer of a [bis(2-hydroxyethyl)ammonio]acetate.

Names & identifiers

Preferred name: Bicine
IUPAC: 2-[bis(2-hydroxyethyl)amino]acetic acid

Names & synonyms

Bicine150-25-4N,N-Bis(2-hydroxyethyl)glycineDiethylolglycineDiethanol glycineDihydroxyethylglycineBiceneGlycine, N,N-bis(2-hydroxyethyl)-2-(bis(2-hydroxyethyl)amino)acetic acidN,N-Dihydroxyethyl glycineN,N-DihydroxyethylglycineDHEG

Show more names

2-[bis(2-hydroxyethyl)amino]acetic aciddi(hydroxyethyl)glycine1J484QFI1ONSC-7342NSC-7512CHEBI:40957RefChem:568038CHEBI:39065

Database identifiers

CAS: 150-25-4
PubChem CID: 8761
DTXSID: DTXSID3041669
ChEMBL: CHEMBL1231251
ChEBI: CHEBI:40957
UNII: 1J484QFI1O
EC Number: 205-755-1
Nikkaji: J39.915I

Properties

Computed structural propertiesFilling in

XLogP: -3.8
Topological polar surface area: 81 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 111

Experimental & physicochemical properties

Chemical ClassesOther Uses -> Biological Buffers

DrugsPharmaceuticals -> Listed in ZINC15

Physical Description · 2 items

Solid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]

Solid

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 97.6% (124 of 127) of all reports.

Not Classified

Aggregated GHS information provided per 127 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Glycine, N,N-bis(2-hydroxyethyl)-

Status: Active Update: 23-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23693

Glycine, N,N-bis(2-hydroxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryCauses changes in tubules (including acute renal failure and necrosis) in intraperitoneal lethal-dose studies of mice (LD50 = 1,540 mg/kg); [RTECS] May cause irritation; [Alfa Aesar MSDS] See Glycine.

Hazard Classes and CategoriesNot Classified