AG001E2S

14651-42-4 | Tricyclo[3.3.1.13,7]decane, 1-(bromomethyl)-

AG001E2S

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CAS Number	14651-42-4
Catalog Number	AG001E2S(AGN-PC-0K4WA2)
Chemical Name	Tricyclo[3.3.1.13,7]decane, 1-(bromomethyl)-
IUPAC Name	1-(bromomethyl)adamantane
InChI	InChI=1S/C11H17Br/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2
InChI Key	RLRBYCAVZBQANU-UHFFFAOYSA-N
MDL Number	MFCD00185303
Molecular Formula	C11H17Br
Molecular Weight	229.1567
SMILES	BrCC12CC3CC(C2)CC(C3)C1
Synonyms	1-(bromomethyl)adamantane, 14651-42-4, 1-bromomethyladamantane, Tricyclo[3.3.1.13,7]decane, 1-(bromomethyl)-, RLRBYCAVZBQANU-UHFFFAOYSA-N, adamantanylbromomethane, 1-(bromomethyl)tricyclo[3.3.1.1~3,7~]decane, IFLab1_005279, PubChem21524, 1-adamantylmethylbromide, 1-(Bromoethyl)adamantane, 1-adamantyl methyl bromide, AC1LR23K, SCHEMBL1889741, CTK0H4091, DTXSID50362862, HMS1426P21, ALBB-006143, ZINC1297870, MFCD00185303, SBB042818, STK501257, AKOS000115678, AKOS023552939, CB-3360, MCULE-2665900985, PS-9960, RP05497, AJ-25336, AS-31440, BC004652, AB0040014, DB-004476, TR-005816, BB 0254386, FT-0605816, R2483, ST45025652, Y7559, (3R,5S,7S)-1-(BROMOMETHYL)ADAMANTANE, I14-9359, W-205639, 1-(BROMOMETHYL)TRICYCLO[3.3.1.1(3,7)]DECANE, C11H17Br, Adamantane, 1-(bromomethyl)-, CID1416304,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.051g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.161g/mol
Monoisotopic Mass	228.051g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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