AG003R8D

59227-89-3 | N-Dodecylcaprolactam

AG003R8D

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CAS Number	59227-89-3
Catalog Number	AG003R8D(AGN-PC-0JKT1T)
Chemical Name	N-Dodecylcaprolactam
EC Number	261-668-9
IUPAC Name	1-dodecylazepan-2-one
InChI	InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20/h2-17H2,1H3
InChI Key	AXTGDCSMTYGJND-UHFFFAOYSA-N
MDL Number	MFCD00190580
Molecular Formula	C18H35NO
Molecular Weight	281.4766
SMILES	O=C1CCCCCN1CCCCCCCCCCCC
UNII	1F3X9DRV9X
Synonyms	1-dodecylazacycloheptan-2-one, 1-dodecylhexahydro-2H-azepin-2-one, Azone, laurocapram, Laurocapram, 59227-89-3, N-Dodecylcaprolactam, 1-dodecylazepan-2-one, Azone, 1-Dodecylazacycloheptan-2-one, N-Lauryl caprolactam, Tranzone, 2H-Azepin-2-one, 1-dodecylhexahydro-, Laurocapramum [Latin], Caswell No. 064A, Laurocapram [USAN:INN], UNII-1F3X9DRV9X, 1-Dodecylhexahydro-2H-azepin-2-one, USAF ND-72, 1-dodecyl-2-azepanone, EINECS 261-668-9, N-0252, BRN 0167211, 1F3X9DRV9X, N 0252, AK-46516, 2H-AZEPIN-2-ONE, HEXAHYDRO-N-LAURYL-, Q-201282, Laurocapramum, TraZone, HSDB 7660, Laurocapram,(S), N-n-dodecylcaprolactam, PubChem15720, Laurocapram (USAN/INN), DSSTox_CID_22086, DSSTox_RID_79921, DSSTox_GSID_42086, SCHEMBL23347, N-Dodecyl-epsilon-caprolactam, 4-21-00-03206 (Beilstein Handbook Reference), CHEMBL76591, 1-dodecylazacycloheptane-2-one, AC1L28X4, DTXSID0042086, 1-n-Dodecylazacycloheptan-2-One, AXTGDCSMTYGJND-UHFFFAOYSA-N, 1-Dodecyl-2-azepanone, AldrichCPR, BCP10858, KS-000010TO, ZINC8214596, Tox21_301757, MFCD00190580, STL320722, AKOS015843226, KS-5054, MCULE-5398835942, MP-2075, RL04235, NCGC00255788-01, AC-11681, AN-39602, BC203076, CC-29858, LS-22992, SC-14021, AB0010699, AX8135957, CAS-59227-89-3, FT-0627723, L0317, ST24031403, D04678, 227L893, A832216, C-17732, SR-01000944876, I06-0192, SR-01000944876-1, Laurocapram/Azone, C18H35NO, Laurocapram, 98% - 1G 1g, C18-H35-N-O, CID42981, CL0018, C035229,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.272g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	281.484g/mol
Monoisotopic Mass	281.272g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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