CAS 112275-50-0 | 1-Boc-Hexahydro-1,4-Diazepine | CAS Number 112275-50-0

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112275-50-0 | 1-Boc-Hexahydro-1,4-Diazepine

CAS No: 112275-50-0 Catalog No: AG0032P5 MDL No:MFCD00276987

Product Description

Catalog Number:

AG0032P5

Chemical Name:

1-Boc-Hexahydro-1,4-Diazepine

CAS Number:

112275-50-0

Molecular Formula:

C10H20N2O2

Molecular Weight:

200.2780

MDL Number:

MFCD00276987

IUPAC Name:

tert-butyl 1,4-diazepane-1-carboxylate

InChI:

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3

InChI Key:

WDPWEXWMQDRXAL-UHFFFAOYSA-N

SMILES:

O=C(N1CCNCCC1)OC(C)(C)C

Properties

Complexity:

199

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.282g/mol

Monoisotopic Mass:

200.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Synthesis of a histamine H(3) receptor antagonist-manipulation of hydroxyproline stereochemistry, desymmetrization of homopiperazine, and nonextractive sodium triacetoxyborohydride reaction workup.	The Journal of organic chemistry 20100702