AG00649X

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CAS Number	676348-90-6
Catalog Number	AG00649X(AGN-PC-00PXFP)
Chemical Name	3-tert-Butoxycarbonylamino-heptanoic acid
IUPAC Name	3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
InChI	InChI=1S/C12H23NO4/c1-5-6-7-9(8-10(14)15)13-11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)(H,14,15)
InChI Key	KVAFMJHZXSBEFB-UHFFFAOYSA-N
MDL Number	MFCD03412496
Molecular Formula	C12H23NO4
Molecular Weight	245.3153
SMILES	O=C(OC(C)(C)C)NC(CC(=O)O)CCCC
Synonyms	3-tert-Butoxycarbonylamino-heptanoic acid, 676348-90-6, 3-{[(tert-butoxy)carbonyl]amino}heptanoic acid, N-Boc-(+/-)-3-aminoheptanoic acid, (S)-3-((tert-Butoxycarbonyl)amino)heptanoic acid, 119005-45-7, 854102-50-4, (R)-3-tert-Butoxycarbonylamino-heptanoic acid, KS-00002BOU, AA140, MFCD03412496, AKOS025149343, AB14399, TS-7141, RT-008885, 3-[(tert-butoxycarbonyl)amino]heptanoic acid, N-tert-butoxycarbonyl 3-amino-heptanoic acid, T6609, 3-Boc-amino-heptanoic acid, 3-TERT-BUTOXYCARBONYLAMINO-HEPTANOICACID,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.163g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.319g/mol
Monoisotopic Mass	245.163g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited