AG000LJK

124072-61-3 | β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-

AG000LJK

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CAS Number	124072-61-3
Catalog Number	AG000LJK(AGN-PC-0PHR0U)
Chemical Name	β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
IUPAC Name	3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI	InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10(4)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)
InChI Key	BBIFRGBXCKOUBW-UHFFFAOYSA-N
MDL Number	MFCD03490508
Molecular Formula	C9H17NO4
Molecular Weight	203.2356
SMILES	O=C(O)CCN(C(OC(C)(C)C)=O)C
Synonyms	124072-61-3, 3-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)PROPANOIC ACID, N-Boc-3-(Methylamino)propanoic acid, 3-[(tert-Butoxycarbonyl)(methyl)amino]propanoic acid, 3-{[(Tert-Butoxy)Carbonyl](Methyl)Amino}Propanoic Acid, 3-(tert-butoxycarbonyl(methyl)amino)propanoic acid, 3-[(tert-butoxycarbonyl)(methyl)amino]-propanoic acid, n-(tert-butoxycarbonyl)-n-methyl-beta-alanine, 3-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]PROPANOICACID, 3-(methylamino)propanoic acid, n-boc protected, 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic Acid, 3-[tert-butoxycarbonyl(methyl)amino]propanoic acid, 3-([(tert-butoxy)carbonyl](methyl)amino)propanoic acid, 3-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, boc-beta-meala-oh, Boc-N-Methyl-beta-alanine, AC1MC3U5, AC1Q3XG2, SCHEMBL381146, CTK6H9227, KS-00000NBK, DTXSID70375434, BBIFRGBXCKOUBW-UHFFFAOYSA-N, ZINC1529077, ANW-44279, MFCD03490508, SBB093130, AKOS009158178, ACN-052167, CS-W004833, GS-3522, RP26031, RTR-003748, N-t-butoxycarbonyl-N-methyl-beta-alanine, AJ-26556, AK-33032, AN-32754, SC-21578, AB0031773, DB-000878, ST2417323, TR-003748, 4CH-015374, FT-0649681, X4975, C-6349, 3[tert-butoxycarbonyl(methyl)amino]propanoic acid, N-(tert-Butyloxycarbonyl)-N-methyl-beta-alanine, 072B613, 3-(tert-Butoxycarbonyl(methyl)amino) propanoic aci, A805200, A805330, I04-1173, J-523499, N-(tert-butoxycarbonyl)-3-methylaminopropanoic acid, 3-(N-t-butyloxycarbonyl-N-methylamino)propionic acid, 3-[(tert-butoxy)-N-methylcarbonylamino]propanoic acid, 3-[N-(tert-butoxycarbonyl)-N-methylamino]propanoic acid, Z1741964960, beta-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-, N-{[(1,1-dimethylethyl)oxy]carbonyl}-N-methyl-b-alanine, N-{[(1,1-dimethylethyl)oxy]carbonyl}-N-methyl-beta-alanine, C9H17NO4, CID2760952, 3-(t-Butoxycarbonyl)methylamino-propionic acid, 124-94-7,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.238g/mol
Monoisotopic Mass	203.116g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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