AG0014R5

13338-63-1 | Benzeneacetonitrile, 3,4,5-trimethoxy-

AG0014R5

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CAS Number	13338-63-1
Catalog Number	AG0014R5(AGN-PC-0JKIGL)
Chemical Name	Benzeneacetonitrile, 3,4,5-trimethoxy-
EC Number	236-388-5
IUPAC Name	2-(3,4,5-trimethoxyphenyl)acetonitrile
InChI	InChI=1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3
InChI Key	ACFJNTXCEQCDBX-UHFFFAOYSA-N
MDL Number	MFCD00001912
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
NSC Number	97556
SMILES	N#CCC1=CC(OC)=C(OC)C(OC)=C1
UNII	N1GY2UD3JX
Synonyms	3,4,5-Trimethoxyphenylacetonitrile, 13338-63-1, 2-(3,4,5-trimethoxyphenyl)acetonitrile, 3,4,5-Trimethoxybenzyl cyanide, 3,4,5-Trimethoxybenzylnitrile, Benzeneacetonitrile, 3,4,5-trimethoxy-, 3,4,5-Trimethoxybenzeneacetonitrile, 3,4,5-Trimethoxyphenylacetylnitryl, (3,4,5-Trimethoxyphenyl)acetonitrile, EINECS 236-388-5, UNII-N1GY2UD3JX, NSC 97556, N1GY2UD3JX, ACETONITRILE, (3,4,5-TRIMETHOXYPHENYL)-, BRN 2214548, ACFJNTXCEQCDBX-UHFFFAOYSA-N, MFCD00001912, 2-(3,4,5-trimethoxyphenyl)ethanenitrile, Q-100129, NSC97556, PubChem14019, ACMC-1BPL2, 3,5-Trimethoxybenzylnitrile, AC1L19YU, DSSTox_CID_31426, DSSTox_RID_97312, DSSTox_GSID_57637, 3,5-Trimethoxybenzyl cyanide, labotest-bb lt00847929, 4-10-00-02033 (Beilstein Handbook Reference), KSC490Q5F, 3,4,5-trimethoxyphenylacetonit, AC1Q48C6, SCHEMBL1020821, 3,5-Trimethoxyphenylacetylnitryl, CHEMBL3186473, DTXSID4057637, CTK3J0852, KS-00000EGE, ZINC157020, (3,5-Trimethoxyphenyl)acetonitrile, 3,5-(Trimethoxyphenyl)acetonitrile, ACN-S004012, 3,4,5-trimethoxyphenyl acetonitrile, 3,4,5-trimethoxyphenyl-acetonitrile, Benzeneacetonitrile,4,5-trimethoxy-, Tox21_113825, Acetonitrile,4,5-trimethoxyphenyl)-, ANW-19533, CT-029, NSC-97556, SBB058324, STL164353, (3,4,5-trimethoxy)phenylacetonitrile, (3,4,5-trimethoxyphenyl)-acetonitril, AKOS005363771, AC-5986, CS-W015270, MCULE-2005896316, TRA0082976, NCGC00253705-01, 2-(3,4,5-trimethoxyphenyl) acetonitrile, AJ-14849, AK-58063, AN-10411, AS-15523, CC-13032, CJ-01575, LS-13316, OR350379, P718, SC-13300, SY015810, ZB006519, 3,4,5-Trimethoxyphenylacetonitrile, 97%, AB0017167, AX8000568, CAS-13338-63-1, DB-001244, RT-002396, ST2403845, AM20020407, FT-0614175, ST50308013, Benzeneacetonitrile, 3,4,5-trimethoxy- (9CI), K-4186, MFCD00001912 (97+%), 338T631, A806609, C-10444, SR-01000944709, I01-3117, SR-01000944709-1, InChI=1/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H, C11H13NO3, CID25887, C11-H13-N-O3, T1927, 3,4,5-Trimethoxyphenylacetonitrile, 97% - 10G 10g,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	207.229g/mol
Monoisotopic Mass	207.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number