AG0037DZ

489-84-9 | 1,4-Dimethyl-7-isopropylazulene

AG0037DZ

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CAS Number	489-84-9
Catalog Number	AG0037DZ(AGN-PC-0JK6KI)
Chemical Name	1,4-Dimethyl-7-isopropylazulene
EC Number	207-701-2
IUPAC Name	1,4-dimethyl-7-propan-2-ylazulene
InChI	InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
InChI Key	FWKQNCXZGNBPFD-UHFFFAOYSA-N
MDL Number	MFCD00023317
Molecular Formula	C15H18
Molecular Weight	198.3034
NSC Number	4714
SMILES	CC1=CC=C2C(=CC=C(C=C12)C(C)C)C
UNII	2OZ1K9JKQC
Synonyms	azulon, guaiazulene, guajazulene, guaiazulene, 489-84-9, 1,4-Dimethyl-7-isopropylazulene, Vetivazulen, Azulon, Eucazulen, Azunol, 7-Isopropyl-1,4-dimethylazulene, Guajazulene, Kessazulen, Purazulen, Silazulon, Uroazulen, S-Guaiazulene, Cuteazul, Guiazulene, Gurjunazulen, Azulen-beris, 3,8-Dimethyl-5-(2-propyl)azulene, Azulene, 1,4-dimethyl-7-(1-methylethyl)-, guaiazulen, Azulol, 1,4-Dimethyl-7-(1-methylethyl)azulene, 1,4-dimethyl-7-(propan-2-yl)azulene, Vaumigan, hepatoprotectant, UNII-2OZ1K9JKQC, NSC 4714, AZ-8 beris, Azunol (TN), Guaiazulene, 99%, 7-isopropyl- 1,4-dimethylazulene, 7-isopropyl-1,4-dimethyl-azulene, AZULENE, 1,4-DIMETHYL-7-ISOPROPYL-, 1,4-dimethyl-7-propan-2-ylazulene, EINECS 207-701-2, MFCD00003811, 2OZ1K9JKQC, Azulene, 7-isopropyl-1,4-dimethyl-, BRN 1365001, CHEBI:5550, C15H18, 1,4-Dimethyl-7-isopropylazulene (JAN), NCGC00095836-02, Azulene, 7-isopropyl-1,4-dimethyl- (8CI), DSSTox_CID_25996, DSSTox_RID_81279, DSSTox_GSID_45996, CAS-489-84-9, Eucazulene, Guajazulen, Kessazulene, Azulene,4-dimethyl-, PubChem15731, Spectrum_001198, Spectrum2_001089, Spectrum3_001537, Spectrum4_000762, Spectrum5_001090, AC1L1G3Z, BSPBio_002954, KBioGR_001144, KBioSS_001678, 4-05-00-01751 (Beilstein Handbook Reference), KSC492A3L, MLS002207286, 1,3,5,7,9-Guaiapentaene, DivK1c_001006, SPECTRUM1502249, SPBio_001138, AZ-8, CHEMBL1408759, DTXSID7045996, CTK3J2035, HMS503I13, KBio1_001006, KBio2_001678, KBio2_004246, KBio2_006814, KBio3_002454, Azulene,4-dimethyl-7-isopropyl-, NSC4714, FWKQNCXZGNBPFD-UHFFFAOYSA-N, NINDS_001006, 1, 4-Dimethyl-7-isopropylazulene, ZINC968478, 1,4-Dimethyl-7-isopropyl-Azulene, BB_NC-01536, KS-000001GN, NSC-4714, ZX-AT020641, Tox21_111526, ANW-41603, BBL027440, CCG-40099, STK801958, 1,4-dimethyl-7-(methylethyl)azulene, 1,4-dimethyl-7-propan-2-yl-azulene, 1,4-Dimethyl-7-(prop-2-yl)azulene, AKOS001082716, Tox21_111526_1, LMPR0103410006, MCULE-9349286347, OR28914, RTR-017759, SDCCGMLS-0066686.P001, WLN: L57J B1 F1 IY1&1, IDI1_001006, Azulene,4-dimethyl-7-(1-methylethyl)-, NCGC00095836-01, NCGC00095836-03, NCGC00095836-05, NCGC00178373-01, 1,4-dimethyl-7-(1-methylethyl)-azulene, AN-45261, AS-13972, CC-29080, CJ-04653, LS-23575, SMR001306801, ST098714, ZB015559, TL8003279, TR-017759, FT-0626818, G0228, V0215, 1,4-Dimethyl-7-(1-methyl)-azulene (azulon), 1,4-Dimethyl-7-(1-methylethyl)azulene, 9CI, C09675, D01037, A827639, C-30056, SR-05000002441, SR-05000002441-1, BRD-K36719159-001-04-9, I14-99343, Z56347227, InChI=1/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H, Guaiazulene 98%, CID3515, 7- isopropyl- 1, 4- dimethylazulene, ACN-056715, C15-H18, 7 - isopropyl - 1,4 - dimethylazulene, C004451,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.141g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.309g/mol
Monoisotopic Mass	198.141g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code

Certificate of Analysis

Lot Number