AG001OBB

155899-66-4 | 4H-Cyclopenta-1,3-dioxol-4-ol, 6-aminotetrahydro-2,2-dimethyl-, (3aR,4S,6R,6aS)-

AG001OBB

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CAS Number	155899-66-4
Catalog Number	AG001OBB(AGN-PC-0Q6ZHF)
Chemical Name	4H-Cyclopenta-1,3-dioxol-4-ol, 6-aminotetrahydro-2,2-dimethyl-, (3aR,4S,6R,6aS)-
IUPAC Name	(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
InChI	InChI=1S/C8H15NO3/c1-8(2)11-6-4(9)3-5(10)7(6)12-8/h4-7,10H,3,9H2,1-2H3/t4-,5+,6+,7-/m1/s1
InChI Key	AXPYGRDXRLICKY-JRTVQGFMSA-N
MDL Number	MFCD20527303
Molecular Formula	C8H15NO3
Molecular Weight	173.2096
SMILES	N[C@@H]1C[C@@H]([C@@H]2[C@H]1OC(O2)(C)C)O
Synonyms	155899-66-4, (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol, (3AR,4S,6R,6AS)-6-AMINOTETRAHYDRO-2,2-DIMETHYL-4H-CYCLOPENTA-1,3-DIOXOL-4-OL, (3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-ol, AXPYGRDXRLICKY-JRTVQGFMSA-N, 220329-21-5, AMOT0359, SCHEMBL1509195, DTXSID10438496, 4H-CYCLOPENTA-1,3-DIOXOL-4-OL, 6-AMINOTETRAHYDRO-2,2-DIMETHYL-, (3AR,4S,6R,6AS)-, (3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol, CS-M2377, AN-012, CA0020, MFCD20527303, ZINC38583212, AKOS016011584, ACN-028496, AM85608, EX-5979, FCH3904225, PB13931, SB15971, AJ-96742, AK120868, AS-39011, SC-92570, AB0078970, AX8243935, ST24034438, Q-101072, (3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4H-, (1beta)-3beta-Amino-4alpha,5alpha-(isopropylidenedioxy)cyclopentanol, (3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol, (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-ol, AMAL, CS-O-03595, CID10352168, (1S,2R,4S,5R)-2-amino-7,7-dimethyl-6,8-dioxabicyclo[3.3.0]octan-4-ol, 3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d]dioxol-4-ol,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	173.105g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	173.212g/mol
Monoisotopic Mass	173.105g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

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

Lot Number