3-amino-3-chloropropan-1-ol;nitric acid

C3H9ClN2O4 — CID 173398674

IUPAC3-amino-3-chloropropan-1-ol;nitric acid
SMILESNC(Cl)CCO.O=[N+]([O-])O
InChIInChI=1S/C3H8ClNO.HNO3/c4-3(5)1-2-6;2-1(3)4/h3,6H,1-2,5H2;(H,2,3,4)
InChIKeySNPKJIWKDZYDMH-UHFFFAOYSA-N
MW172.57 g/mol
LogP-0.46
Rot. Bonds2

About 3-amino-3-chloropropan-1-ol;nitric acid

3-amino-3-chloropropan-1-ol;nitric acid (PubChem CID 173398674) has the molecular formula C3H9ClN2O4 and a molecular weight of 172.57 g/mol. Its IUPAC name is 3-amino-3-chloropropan-1-ol;nitric acid.

Molecular Properties

Compound Name3-amino-3-chloropropan-1-ol;nitric acid
PubChem CID173398674
Molecular FormulaC3H9ClN2O4
Molecular Weight172.57 g/mol
Exact Mass172.03
IUPAC Name3-amino-3-chloropropan-1-ol;nitric acid
SMILESNC(Cl)CCO.O=[N+]([O-])O
InChIInChI=1S/C3H8ClNO.HNO3/c4-3(5)1-2-6;2-1(3)4/h3,6H,1-2,5H2;(H,2,3,4)
InChIKeySNPKJIWKDZYDMH-UHFFFAOYSA-N
XLogP-0.46
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)butane-1,4-diol;nitric acid
CID 87107747
2-aminoethanol;bis(nitric acid)
CID 22257240
beryllium;hydride;nitric acid;trihydrate
CID 173051038
sodium;hydride;nitric acid
CID 174891443
dipotassium;hydride;nitric acid
CID 173026465
tricalcium;hydride;nitric acid
CID 173351072
pentapotassium;hydride;pentadecakis(nitric acid)
CID 173454333
potassium;hydride;tetrakis(nitric acid)
CID 173316593
magnesium;hydride;tris(nitric acid)
CID 173386256
barium(2+);hydride;nitric acid
CID 172995919
1-aminoethanol;bis(nitric acid)
CID 173099484
(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
CID 172852587

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-chloropropan-1-ol;nitric acid?
The IUPAC name of 3-amino-3-chloropropan-1-ol;nitric acid (CID 173398674) is 3-amino-3-chloropropan-1-ol;nitric acid.
What is the SMILES notation for 3-amino-3-chloropropan-1-ol;nitric acid?
The canonical SMILES for 3-amino-3-chloropropan-1-ol;nitric acid is NC(Cl)CCO.O=[N+]([O-])O.
What is the InChIKey of 3-amino-3-chloropropan-1-ol;nitric acid?
The InChIKey is SNPKJIWKDZYDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO.HNO3/c4-3(5)1-2-6;2-1(3)4/h3,6H,1-2,5H2;(H,2,3,4).
What are the key properties of 3-amino-3-chloropropan-1-ol;nitric acid?
3-amino-3-chloropropan-1-ol;nitric acid has a molecular weight of 172.57 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-chloropropan-1-ol;nitric acid is sourced from PubChem (CID 173398674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).