AG001D0X

14542-93-9 | Pentane, 2-isocyano-2,4,4-trimethyl-

AG001D0X

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CAS Number	14542-93-9
Catalog Number	AG001D0X(AGN-PC-0JKIZY)
Chemical Name	Pentane, 2-isocyano-2,4,4-trimethyl-
IUPAC Name	2-isocyano-2,4,4-trimethylpentane
InChI	InChI=1S/C9H17N/c1-8(2,3)7-9(4,5)10-6/h7H2,1-5H3
InChI Key	YVPXQMYCTGCWBE-UHFFFAOYSA-N
MDL Number	MFCD00000003
Molecular Formula	C9H17N
Molecular Weight	139.2380
NSC Number	141688
SMILES	CC(C)(C)CC(C)([N+]#[C-])C
Synonyms	1,1,3,3-Tetramethylbutyl isocyanide, 14542-93-9, Pentane, 2-isocyano-2,4,4-trimethyl-, 2-ISOCYANO-2,4,4-TRIMETHYLPENTANE, 1,1,3,3-Tetramethylbutylisonitrile, 1,1,3,3-tetramethylbutylisocyanide, 2-isocyano-2,4,4-trimethyl-pentane, GEO-02820, Pentane,2-isocyano-2,4,4-trimethyl-, W-200118, NSC 141688, Walborsky's reagent, EINECS 238-577-8, tert-Octyl isocyanide, AC1L1BRE, Pentane,4,4-trimethyl-, ACMC-209cv0, SCHEMBL377668, DTXSID9065784, CTK4C4528, 1,3,3-Tetramethylbutylisonitrile, 1,3,3-Tetramethylbutyl isocyanide, ANW-20938, MFCD00000003, NSC141688, ZINC95731554, 1,1,3,3-Tetramethyl butylisocyanide, 1,1,3,3-tetramethyl-butylisonitrile, Butyl isocyanide,1,3,3-tetramethyl-, AKOS015959087, FCH1121247, NSC-141688, VZ33790, SC-78120, SY051435, (2,4,4-trimethylpentane-2-yl)-isocyanide, DB-042782, TC-109683, FT-0606002, Walborsky inverted exclamation mark s reagent, MFCD00000003 (95%), Butyl isocyanide, 1,1,3,3-tetramethyl- (8CI), A808368, C-01912, S14-1419, InChI=1/C9H17N/c1-8(2,3)7-9(4,5)10-6/h7H2,1-5H, tert-Octylisocyanide, C9H17N, YVPXQMYCTGCWBE-UHFFFAOYSA-N, 1,1,3,3-Tetramethylbutyl isocyanate, C9-H17-N, CID26725, Butyl isocyanide, 1,1,3,3-tetramethyl-, T1054,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.136g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	139.242g/mol
Monoisotopic Mass	139.136g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	4.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H312-H332
Packing Group	Ⅲ
Precautionary statements	P210-P261-P280-P302+P352+P312+P362+P364-P304+P340+P312-P370+P378
UN Code	UN 1993

Certificate of Analysis

Lot Number