AG006NEA

99724-21-7 | (Azetidin-2-ylmethyl)carbamic acid tert-butyl ester hydrochloride

AG006NEA

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CAS Number	99724-21-7
Catalog Number	AG006NEA(AGN-PC-000XLN)
Chemical Name	(Azetidin-2-ylmethyl)carbamic acid tert-butyl ester hydrochloride
IUPAC Name	tert-butyl N-(azetidin-2-ylmethyl)carbamate
InChI	InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-7-4-5-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChI Key	QMZBFSZZEGSSPH-UHFFFAOYSA-N
MDL Number	MFCD06658350
Molecular Formula	C9H18N2O2
Molecular Weight	186.2514
SMILES	O=C(OC(C)(C)C)NCC1NCC1
Synonyms	99724-21-7, 2-(N-Boc-aminomethyl)azetidine, tert-Butyl (azetidin-2-ylmethyl)carbamate, Azetidin-2-ylmethyl-carbamic acid tert-butyl ester, tert-butyl N-(azetidin-2-ylmethyl)carbamate, AZETIDIN-2-YLMETHYLCARBAMIC ACID TERT-BUTYL ESTER, tert-butyl azetidin-2-ylmethylcarbamate, (AZETIDIN-2-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER, Carbamic acid, (2-azetidinylmethyl)-, 1,1-dimethylethyl ester, (R)-tert-Butyl (azetidin-2-ylmethyl)carbamate, (S)-tert-Butyl (azetidin-2-ylmethyl)carbamate, PubChem16650, SCHEMBL1398833, CTK3I6573, 2-(N-Boc-aminomethyl) azetidine, DTXSID80558418, QMZBFSZZEGSSPH-UHFFFAOYSA-N, AB1180, FCH919586, MFCD06658350, AKOS006222258, CB-3855, AK-59514, AN-34452, AS-44533, OR309041, SY028482, 2-[(t-butoxycarbonylamino)methyl]azetidine, AB0085581, AX8029981, AM20120407, FT-0730527, tert-Butyl [(azetidin-2-yl)methyl]carbamate, MFCD06658350 (95%), A-7436, 724A217, A846070, (2-azetidinylmethyl)-carbamic acid tert-butyl ester, N-(2-azetidinylmethyl)carbamic acid tert-butyl ester, S14-2250, (Azetidin-2-ylmethyl)-carbamic acid tert-butyl ester AldrichCPR, (Azetidin-2-ylmethyl)-carbamic acid tert-butyl ester, AldrichCPR, carbamic acid, n-(2-azetidinylmethyl)-, 1,1-dimethylethyl ester, 2-(Boc-aminomethyl)azetidine, -CARBAMICACIDTERT-BUTYLESTER, 1638744-09-8, 1638744-81-6,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.137g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	186.255g/mol
Monoisotopic Mass	186.137g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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