[bis(hydroxymethyl)amino]methanol;titanium

C3H9NO3Ti — CID 174785911

IUPAC[bis(hydroxymethyl)amino]methanol;titanium
SMILESOCN(CO)CO.[Ti]
InChIInChI=1S/C3H9NO3.Ti/c5-1-4(2-6)3-7;/h5-7H,1-3H2;
InChIKeyLUWBGYRMIUMSLS-UHFFFAOYSA-N
MW154.98 g/mol
LogP-1.86
Rot. Bonds3

About [bis(hydroxymethyl)amino]methanol;titanium

[bis(hydroxymethyl)amino]methanol;titanium (PubChem CID 174785911) has the molecular formula C3H9NO3Ti and a molecular weight of 154.98 g/mol. Its IUPAC name is [bis(hydroxymethyl)amino]methanol;titanium.

Molecular Properties

Compound Name[bis(hydroxymethyl)amino]methanol;titanium
PubChem CID174785911
Molecular FormulaC3H9NO3Ti
Molecular Weight154.98 g/mol
Exact Mass155.01
IUPAC Name[bis(hydroxymethyl)amino]methanol;titanium
SMILESOCN(CO)CO.[Ti]
InChIInChI=1S/C3H9NO3.Ti/c5-1-4(2-6)3-7;/h5-7H,1-3H2;
InChIKeyLUWBGYRMIUMSLS-UHFFFAOYSA-N
XLogP-1.86
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.98
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 158136077
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CID 174403206
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CID 18004320
[bis(methylaminomethyl)amino]methanol
CID 150700943
azane;2-[bis(hydroxymethyl)amino]acetic acid
CID 87594237
[bis(prop-2-ynyl)amino]methanol
CID 158644240
disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
CID 15217912
[dodecyl(hydroxymethyl)amino]methanol
CID 19019052
[hexyl(hydroxymethyl)amino]methanol
CID 18004283
bromomethanol
CID 11708052
1-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 22642430
dimethylaminomethanol;zinc
CID 87991931

Frequently Asked Questions

What is the IUPAC name of [bis(hydroxymethyl)amino]methanol;titanium?
The IUPAC name of [bis(hydroxymethyl)amino]methanol;titanium (CID 174785911) is [bis(hydroxymethyl)amino]methanol;titanium.
What is the SMILES notation for [bis(hydroxymethyl)amino]methanol;titanium?
The canonical SMILES for [bis(hydroxymethyl)amino]methanol;titanium is OCN(CO)CO.[Ti].
What is the InChIKey of [bis(hydroxymethyl)amino]methanol;titanium?
The InChIKey is LUWBGYRMIUMSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3.Ti/c5-1-4(2-6)3-7;/h5-7H,1-3H2;.
What are the key properties of [bis(hydroxymethyl)amino]methanol;titanium?
[bis(hydroxymethyl)amino]methanol;titanium has a molecular weight of 154.98 g/mol, XLogP of -1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(hydroxymethyl)amino]methanol;titanium is sourced from PubChem (CID 174785911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).