AG003EJ4

Name: 1-Monobutyrin
Brand: Angene Chemical
SKU: AG003EJ4

557-25-5 | 1-Monobutyrin

AG003EJ4

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CAS Number	557-25-5
Catalog Number	AG003EJ4(AGN-PC-0JK9WY)
Chemical Name	1-Monobutyrin
IUPAC Name	2,3-dihydroxypropyl butanoate
InChI	InChI=1S/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3
InChI Key	RIEABXYBQSLTFR-UHFFFAOYSA-N
MDL Number	MFCD00041830
Molecular Formula	C7H14O4
Molecular Weight	162.1837
NSC Number	8451
SMILES	O(CC(CO)O)C(=O)CCC
Synonyms	1-butyrylglycerol, monobutyrin, 1-MONOBUTYRIN, Monobutyrin, 557-25-5, 1-Butyrylglycerol, alpha-Monobutyrin, Butanoic acid, 2,3-dihydroxypropyl ester, .alpha.-Monobutyrin, 2,3-Dihydroxypropyl butyrate, Mono-n-butyrin, 1-Mono-n-butyrin, 2,3-dihydroxypropyl butanoate, Butyrin, 1-mono-, Glycerol-alpha-mono-n-butyrate, CHEBI:76503, Glycerol-.alpha.-mono-n-butyrate, BUTANOIC ACID 2,3-DIHYDROXYPROPYL ESTER, RIEABXYBQSLTFR-UHFFFAOYSA-N, 1-Butyrin, NSC 8451, EINECS 209-165-5, EINECS 248-160-2, 1-O-(butyryl)glycerol, AI3-28578, 1-monobutyrin, AldrichCPR, 2,3-Dihydroxypropylbutyrat, AC1L1WT4, Butanoic acid, monoester with 1,2,3-propanetriol, SCHEMBL68553, 26999-06-4, Butyric acid, monoester with propane-1,2,3-triol, Butyrin, 1-mono- (8CI), 3-butyryloxypropane-1,2-diol, 2,3-Dihydroxypropyl butyrate #, CHEMBL1987276, Butyrate de 2,3-dihydroxypropyle, MAG 4:0, NSC8451, KS-000000JY, NSC-8451, 7802AF, Butanoic acid,3-dihydroxypropyl ester, AKOS025243286, TRA0003933, NCI60_041861, FT-0693611, C-47350, I14-92447, Butin, UNII-0YT8423E8U, C7H14O4, 0YT8423E8U, CID11188, C7-H14-O4, Butanoicacid,2,3-dihydroxypropylester, C063895, 107-86-8, 492-14-8,

Complexity	113
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.089g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	162.185g/mol
Monoisotopic Mass	162.089g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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