AG00I18B

1823301-45-6 | Di-Tert-Butyl 6-Hydroxy-1,4-Diazepane-1,4-Dicarboxylate

AG00I18B

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CAS Number	1823301-45-6
Catalog Number	AG00I18B(AGN-PC-0WG49X)
Chemical Name	Di-Tert-Butyl 6-Hydroxy-1,4-Diazepane-1,4-Dicarboxylate
IUPAC Name	ditert-butyl 6-hydroxy-1,4-diazepane-1,4-dicarboxylate
InChI	InChI=1S/C15H28N2O5/c1-14(2,3)21-12(19)16-7-8-17(10-11(18)9-16)13(20)22-15(4,5)6/h11,18H,7-10H2,1-6H3
InChI Key	CNXHKECPYYPLBF-UHFFFAOYSA-N
MDL Number	MFCD22690644
Molecular Formula	C15H28N2O5
Molecular Weight	316.3932
SMILES	OC1CN(CCN(C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Synonyms	1,4-(Di-Boc)-6-hydroxy-1,4-diazepane, 1823301-45-6, Di-tert-butyl 6-hydroxy-1,4-diazepane-1,4-dicarboxylate, MFCD22690644, ZINC255187290, FCH2895366, AS-40711, TZ001163, CS-0036029,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.2g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	316.398g/mol
Monoisotopic Mass	316.2g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	79.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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