AG0016EV

1219220-82-2 | 1-Azetidinecarboxylic acid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester

AG0016EV

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CAS Number	1219220-82-2
Catalog Number	AG0016EV(AGN-PC-03YOKZ)
Chemical Name	1-Azetidinecarboxylic acid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-carbamoylazetidine-1-carboxylate
InChI	InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-6(11)7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)
InChI Key	NDEIKFCAPOYPHU-UHFFFAOYSA-N
MDL Number	MFCD08274992
Molecular Formula	C9H16N2O3
Molecular Weight	200.2349
SMILES	CC(OC(N1C(C(N)=O)CC1)=O)(C)C
Synonyms	1219220-82-2, tert-Butyl 2-carbamoylazetidine-1-carboxylate, 1-Boc-azetidine-2-carboxylic acid amide, 1-Azetidinecarboxylic acid, 2-carbamoyl-azetidine-1-carboxylic acid tert-butyl ester, SCHEMBL5069216, CTK8C1298, ANW-66207, MFCD08274992, AKOS015960817, FCH1386593, AC-12319, AK141847, AS-36767, AX8236405, TC-154952, Y5243, A-2376, TERT-BUTYL (2S)-2-CARBAMOYLAZETIDINE-1-CARBOXYLATE, 1-Azetidinecarboxylic acid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester, C9H16N2O3, (S)-tert-Butyl 2-carbamoylazetidine-1-carboxylate, tert-Butyl2-carbamoylazetidine-1-carboxylate, 105443-94-5,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.238g/mol
Monoisotopic Mass	200.116g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

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