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Merck
CN

511382

1-Boc-hexahydro-1,4-diazepine

98%

Synonym(s):

1-Boc-homopiperazine, tert-Butyl homopiperazine-1-carboxylate

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About This Item

Empirical Formula (Hill Notation):
C10H20N2O2
CAS Number:
112275-50-0
Molecular Weight:
200.28
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24873442
MDL number:
MFCD00276987
Beilstein/REAXYS Number:
7581789

Key Documents

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Product Name

1-Boc-hexahydro-1,4-diazepine, 98%

InChI

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

SMILES string

CC(C)(C)OC(=O)N1CCCNCC1

InChI key

WDPWEXWMQDRXAL-UHFFFAOYSA-N

assay

98%

refractive index

n20/D 1.471 (lit.)

bp

95-110 °C/0.5 mmHg (lit.)

density

1.016 g/mL at 20 °C (lit.)

Quality Level

100

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Related Categories

Application

Used in synthesis of potent anticoagulant.

General description

1-Boc-hexahydro-1,4-diazepine is an N-boc protected homopiperazine. Its enthalpy of vaporization at boiling point (558.15K) is 49.498kjoule/mol.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW8888
MKBG2067V
MKBG8071V
MKBF0601V
MKBF1105V

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Hiroyuki Koshio et al.
Bioorganic & medicinal chemistry, 12(9), 2179-2191 (2004-04-15)
Factor Xa (fXa) is a serine protease involved in the coagulation cascade, which has received great interest as a potential target for the development of new antithrombotic drugs. Herein we report a novel series of fXa inhibitors in which the
Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 586-586 (2014)

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