AG00IBCZ

643759-58-4 | tert-butyl 3-methyl-2,5-dihydro-1H-pyrrole-1-carboxylate

AG00IBCZ

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	643759-58-4
Catalog Number	AG00IBCZ(AGN-PC-0TCFEG)
Chemical Name	tert-butyl 3-methyl-2,5-dihydro-1H-pyrrole-1-carboxylate
IUPAC Name	tert-butyl 3-methyl-2,5-dihydropyrrole-1-carboxylate
InChI	InChI=1S/C10H17NO2/c1-8-5-6-11(7-8)9(12)13-10(2,3)4/h5H,6-7H2,1-4H3
InChI Key	SEZAXFMJUXBDBU-UHFFFAOYSA-N
MDL Number	MFCD24466973
Molecular Formula	C10H17NO2
Molecular Weight	183.2475
SMILES	O=C(N1CC(C)=CC1)OC(C)(C)C
Synonyms	643759-58-4, tert-butyl 3-methyl-2,5-dihydro-1H-pyrrole-1-carboxylate, 1-Boc-2,5-dihydro-3-methyl-1H-pyrrole, SCHEMBL1257642, SEZAXFMJUXBDBU-UHFFFAOYSA-N, MFCD24466973, ZINC96372363, AKOS025290920, FCH1660104, GS-5476, SB11127, KS-0000049S, AK170888, CS-0048278, Q-5014, 1-Boc-2,5-dihydro-3-methyl-1H-pyrrole, AldrichCPR, 3-Methyl-3-pyrroline-1-carboxylic acid tert-butyl ester, 1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-3-methyl-, 1,1-dimethylethylester,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.126g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.251g/mol
Monoisotopic Mass	183.126g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number