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1-Isocyano-3-methylbutane

1-Isocyano-3-methylbutane structure

CAS No:
638-27-7
Formula:
C6H11N
Chemical Name:
1-Isocyano-3-methylbutane
Synonyms:
Butane,1-isocyano-3-methyl-;Isopentyl isocyanide;1-Isocyano-3-methylbutane;Iso-Amyl isocyanide;Isoamyl isocyanide

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1-Isocyano-3-methylbutane Basic Attributes

Molecular Weight：

97.161

Exact Mass：

97.08910

DSSTox ID：

DTXSID60374774

Characteristics

PSA：

4.4

XLogP3：

1.18250

Safety Information

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

Computed Properties

Molecular Weight:97.16
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:97.089149355
Monoisotopic Mass:97.089149355
Topological Polar Surface Area:4.4
Heavy Atom Count:7
Complexity:75.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Isocyano-3-methylbutane

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-Isocyano-3-methylbutane

SDS

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