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1-Piperidineacetonitrile,4-oxo-(9CI)

1-Piperidineacetonitrile,4-oxo-(9CI) structure

CAS No:
259180-65-9
Formula:
C7H10N2O
Chemical Name:
1-Piperidineacetonitrile,4-oxo-(9CI)
Synonyms:
1-Piperidineacetonitrile,4-oxo-(9CI);1-piperidineacetonitrile, 4-oxo-;(4-oxo-1-piperidinyl)acetonitrile(SALTDATA: FREE);4-Oxo-1-piperidineacetonitrile;2-(4-keto-1-piperidyl)acetonitrile;2-(4-oxo-1-piperidinyl)acetonitrile;2-(4-oxo-1-piperidyl)acetonitrile;2-(4-oxopiperidin-1-yl)acetonitrile

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1-Piperidineacetonitrile,4-oxo-(9CI) Basic Attributes

Molecular Weight：

138.17

Exact Mass：

138.079312947

DSSTox ID：

DTXSID70375414

Characteristics

Density：

1.105±0.06 g/cm3

Boiling Point：

284.3±25.0 °C(Predicted)

PKA：

3.50±0.20

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:138.17
XLogP3:-0.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:138.079312947
Monoisotopic Mass:138.079312947
Topological Polar Surface Area:44.1
Heavy Atom Count:10
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Piperidineacetonitrile,4-oxo-(9CI)

Basic Attributes
Characteristics
Safety Information
Computed Properties

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