AG003DWW

5511-18-2 | Adamantane-1-carboxamide

AG003DWW

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CAS Number	5511-18-2
Catalog Number	AG003DWW(AGN-PC-07Y47A)
Chemical Name	Adamantane-1-carboxamide
IUPAC Name	adamantane-1-carboxamide
InChI	InChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)
InChI Key	CKBZJTAMRPPVSR-UHFFFAOYSA-N
MDL Number	MFCD00042109
Molecular Formula	C11H17NO
Molecular Weight	179.2588
SMILES	O=C(C12CC3CC(C2)CC(C3)C1)N
Synonyms	1-adamantanecarboxamide, 1-ADAMANTANECARBOXAMIDE, adamantane-1-carboxamide, 5511-18-2, adamantanecarboxamide, BRN 2047887, tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, MFCD00077200, Tricyclo(3.3.1.13,7)decane-1-carboxamide, Tricyclo[3.3.1.13,7]decane-1-carboxamide, 2-Carbamoyladamantane, PubChem8792, admantane-1-carboxamide, ACMC-209ll3, AC1L2IV4, Oprea1_331138, Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, ARONIS25105, SCHEMBL176523, 1-Adamantanecarboxamide, 97%, CHEMBL2041315, CTK1H3612, DTXSID30203628, CKBZJTAMRPPVSR-UHFFFAOYSA-N, HMS1786F09, ZINC138981, Adamantane-1-Carboxylic Acid Amide, ALBB-013701, 5479AE, ANW-32245, GEO-02752, SBB056622, STL290663, AKOS001023937, AKOS017344467, CA-1975, MCULE-7703448195, VZ21093, KS-000013I8, KS-0000470C, AJ-12351, LS-14964, ZB004871, AB0120360, AB1004228, TR-019446, EU-0066815, FT-0621897, R1979, ST45025507, 511A182, A830495, SR-01000389674, I05-0218, SR-01000389674-1, W-200426, Z56757306, Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide (9CI), null, C11H17NO, 1-Adamantanecarboxamide, 97% 1g, C11-H17-N-O, CID21686, 1-Adamantanecarboxamide, 98% - 1G 1g, A2078, 73405-12-6,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.131g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.263g/mol
Monoisotopic Mass	179.131g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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