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Sigma-Aldrich

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
Beilstein:
7581789
MDL number:
MFCD00276987
UNSPSC Code:
12352100
PubChem Substance ID:
24873442
NACRES:
NA.22

Quality Level

100

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.)

SMILES string

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

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

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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.

Application

Used in synthesis of potent anticoagulant.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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