AG0007ZR

Name: Benzoic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
Brand: Angene Chemical
SKU: AG0007ZR

102638-45-9 | Benzoic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester

AG0007ZR

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CAS Number	102638-45-9
Catalog Number	AG0007ZR(AGN-PC-02KZJW)
Chemical Name	Benzoic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-(aminomethyl)benzoate
InChI	InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-7H,8,13H2,1-3H3
InChI Key	HALKLPHYNWBHPB-UHFFFAOYSA-N
MDL Number	MFCD08275208
Molecular Formula	C12H17NO2
Molecular Weight	207.2689
SMILES	O=C(OC(C)(C)C)C1=CC=CC(CN)=C1
Synonyms	tert-butyl 3-(aminomethyl)benzoate, 102638-45-9, tert-Butyl 3-aminomethylbenzoate, tert-butyl3-(aminomethyl)benzoate, Benzoic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester, ACMC-20c3m5, SCHEMBL4928282, CTK0D8958, KS-00003GUR, DTXSID10600616, MFCD08275208, SBB093905, ZINC37729953, AKOS010134685, AS-5103, OR346066, AB0001489, DB-015024, TC-064389, 3-(Aminomethyl)benzoic acid tert-butyl ester, FT-0682374, X6530, EN300-120029, I01-9619, C12H17NO2, CB11110, 1,1-Dimethylethyl-3-(aminomethyl)benzoate, A1813,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.126g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.273g/mol
Monoisotopic Mass	207.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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