2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine

C6H19ClN2O4 — CID 88625079

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine
SMILESCN.NC(CO)(CO)CO.OCCl
InChIInChI=1S/C4H11NO3.CH3ClO.CH5N/c5-4(1-6,2-7)3-8;2-1-3;1-2/h6-8H,1-3,5H2;3H,1H2;2H2,1H3
InChIKeySLRXCCQDKSHAQU-UHFFFAOYSA-N
MW218.68 g/mol
LogP-2.59
Rot. Bonds3

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine

2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine (PubChem CID 88625079) has the molecular formula C6H19ClN2O4 and a molecular weight of 218.68 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine
PubChem CID88625079
Molecular FormulaC6H19ClN2O4
Molecular Weight218.68 g/mol
Exact Mass218.10
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine
SMILESCN.NC(CO)(CO)CO.OCCl
InChIInChI=1S/C4H11NO3.CH3ClO.CH5N/c5-4(1-6,2-7)3-8;2-1-3;1-2/h6-8H,1-3,5H2;3H,1H2;2H2,1H3
InChIKeySLRXCCQDKSHAQU-UHFFFAOYSA-N
XLogP-2.59
TPSA132.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.68
LogP ≤ 5-2.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine (CID 88625079) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine is CN.NC(CO)(CO)CO.OCCl.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine?
The InChIKey is SLRXCCQDKSHAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.CH3ClO.CH5N/c5-4(1-6,2-7)3-8;2-1-3;1-2/h6-8H,1-3,5H2;3H,1H2;2H2,1H3.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine?
2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine has a molecular weight of 218.68 g/mol, XLogP of -2.59, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine is sourced from PubChem (CID 88625079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).