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N-(1-Cyano-1-methylethyl)isobutyramide

N-(1-Cyano-1-methylethyl)isobutyramide structure

CAS No:
84213-57-0
Formula:
C8H14N2O
Chemical Name:
N-(1-Cyano-1-methylethyl)isobutyramide
Synonyms:
N-(1-Cyano-1-methylethyl)isobutyramide;Propanamide, N-(1-cyano-1-methylethyl)-2-methyl-

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N-(1-Cyano-1-methylethyl)isobutyramide Basic Attributes

Molecular Weight：

154.21

Exact Mass：

154.110613074 g/mol

UNII：

K35A23RQF3

DSSTox ID：

DTXSID00336957

HScode：

2926909090

Characteristics

PSA：

56.38000

XLogP3：

1.90108

Density：

0.961±0.06 g/cm3

Melting Point：

185-186 °C

Boiling Point：

313.7±25.0 °C(Predicted)

PKA：

13.12±0.46

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:154.21
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:154.110613074
Monoisotopic Mass:154.110613074
Topological Polar Surface Area:52.9
Heavy Atom Count:11
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(1-Cyano-1-methylethyl)isobutyramide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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