AG00IAKE

59528-30-2 | Benzenemethanamine, 4-(1,1-dimethylethyl)-, hydrochloride

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CAS Number	59528-30-2
Catalog Number	AG00IAKE(AGN-PC-013MVN)
Chemical Name	Benzenemethanamine, 4-(1,1-dimethylethyl)-, hydrochloride
IUPAC Name	(4-tert-butylphenyl)methanamine;hydrochloride
InChI	InChI=1S/C11H17N.ClH/c1-11(2,3)10-6-4-9(8-12)5-7-10;/h4-7H,8,12H2,1-3H3;1H
InChI Key	MARHPSYFKRETIW-UHFFFAOYSA-N
MDL Number	MFCD08144075
Molecular Formula	C11H18ClN
Molecular Weight	199.7203
SMILES	NCC1=CC=C(C(C)(C)C)C=C1.[H]Cl
Synonyms	59528-30-2, 4-(tert-Butyl)benzylamine Hydrochloride, (4-tert-butylphenyl)methanamine hydrochloride, Benzenemethanamine, 4-(1,1-dimethylethyl)-, hydrochloride, AC1Q38YT, 4-(tert-Butyl)benzylamine HCl, CHEMBL2041544, CTK1E7181, DTXSID00586253, KS-000009KV, 4-(t-Butyl)benzylamine hydrochloride, 4310AH, MFCD08144075, 4-(tert-Butyl)benzylamineHydrochloride, AKOS000276968, NE32161, CS-11789, SY030278, EN300-72482, MFCD08144075 (95%), 1-(4-tert-Butylphenyl)methanamine--hydrogen chloride (1/1), C11H17N.HCl, 39895-55-1,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.113g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	199.722g/mol
Monoisotopic Mass	199.113g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number