AG001J89

144282-37-1 | Carbamic acid, N-[(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester

AG001J89

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CAS Number	144282-37-1
Catalog Number	AG001J89(AGN-PC-0PVCBX)
Chemical Name	Carbamic acid, N-[(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]carbamate
InChI	InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-15-12-20(13-18(15)9-10-18)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)/t15-/m1/s1
InChI Key	UCBLMUMETZZNIZ-OAHLLOKOSA-N
MDL Number	MFCD17214772
Molecular Formula	C18H26N2O2
Molecular Weight	302.4112
SMILES	C(C1=CC=CC=C1)N1CC2(CC2)[C@@H](C1)NC(OC(C)(C)C)=O
Synonyms	144282-37-1, (S)-tert-Butyl (5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate, Carbamic acid, [(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester, J-502528, (S)-tert-Butyl (5-benzyl-5-azaspiro-[2.4]heptan-7-yl)carbamate, Carbamicacid,N-[(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-,1,1-dimethylethylester, Carbamic acid, N-[(7R)-5-(phenylmethyl)-5-azaspiro-[2.4]hept-7-yl]-,1,1-dimethylethyl ester, AK101691, SCHEMBL9245843, TERT-BUTYL N-[(7S)-5-BENZYL-5-AZASPIRO[2.4]HEPTAN-7-YL]CARBAMATE, AMSP00021, CTK8B9606, DTXSID30443860, BCP12388, KS-00000Q6R, 7102AA, ANW-62764, MFCD17214772, ZINC34401723, AKOS005762855, AKOS015899931, AM85587, DS-3734, FCH3661528, RP17642, [(7S)-5-(Phenylmethyl)-5-azaspiro[2.4]hept-7-yl]carbamic acid tert-butyl ester, AC-27606, AJ-88309, SC-70771, AX8233230, TC-151509, CS-0042464, FT-0771988, ST24036403, Carbamic acid, [(7S)-5-(phenylmethyl)-5-azaspiro[2, I14-11161, (S)-tert-butyl(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate, tert-butyl (S)-(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate, Carbamic acid, N-[(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester, UCBLMUMETZZNIZ-OAHLLOKOSA-N, C18H26N2O2, ACN-048343, CID10709504, Tert-butyl N-[(4R)-6-benzyl-6-azaspiro[2.4]heptan-4-yl]carbamate, tert-butyl N-[(7S)-5-benzyl-5-azaspiro[2.4]hept-7-yl]carbamate, 1432056-70-6,

Complexity	406
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	302.199g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	302.418g/mol
Monoisotopic Mass	302.199g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

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