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MEA hydrochloride - Substance Summary (SID 539754)


Data Source:   
Depositor: DTP/NCI
External ID: 10000

Depositor-Supplied Synonyms: (Total: 11)
Display: Next 1 | All | Sort:
MEA hydrochloride
Ethanolamine chloride
Colamine hydrochloride
Ethanolamine hydrochloride
ETHANOLAMINE-HCL
2-Aminoethanol hydrochloride
Monoethanolamine hydrochloride
Ethanol, 2-amino-, hydrochloride
.beta.-Aminoethanol hydrochloride
NSC10000


Properties Computed from Structure:
Molecular Weight97.54402 [g/mol]
Molecular FormulaC2H8ClNO
H-Bond Donor3
H-Bond Acceptor2
Rotatable Bond Count1
Exact Mass97.029442
MonoIsotopic Mass97.029442
Topological Polar Surface Area46.3
Heavy Atom Count5
Formal Charge0
Complexity10
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2


Descriptors Computed from Structure:
IUPAC Name: 2-aminoethanol hydrochloride
Canonical SMILES: C(CO)N.Cl
InChI: InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H
InChIKey: PMUNIMVZCACZBB-UHFFFAOYSA-N


Substance Information:
SID 539754   
Deposit Date: 2005-03-27
Modify Date: 2008-02-29

CID 74819   
Create Date: 2005-03-27
Parent CID 700
Unique Components: 2 Links

Related Substances:
Same: 14 Links

Similar Substances: 160 Links


Depositor-Supplied Comments:
DTP/NCI from molfile. Release-June 2007.
Structure Evaluation:Consistent with Molecular Formula.
Deposition record created from database webdb on host dtpiv1.ncifcrf.gov on Feb 22, 2008
     
Compound Displayed

2D

3D
Compound ID74819
Molecular Weight97.54402 [g/mol]
Molecular FormulaC2H8ClNO
H-Bond Donor3
H-Bond Acceptor2


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