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H10401

Sigma-Aldrich

Hexamethyleneimine

99%

Synonym(s):

1-Azacycloheptane, Azepane, HMI, Perhydroazepine, Hexahydro-1H-azepine, Homopiperidine

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About This Item

Empirical Formula (Hill Notation):
C6H13N
CAS Number:
111-49-9
Molecular Weight:
99.17
Beilstein:
1084
EC Number:
203-875-9
MDL number:
MFCD00006934
UNSPSC Code:
12352100
PubChem Substance ID:
24895424
NACRES:
NA.22

vapor pressure

7.4 mmHg ( 21.1 °C)

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.466 (lit.)

bp

138 °C/749 mmHg (lit.)

density

0.88 g/mL at 25 °C (lit.)

SMILES string

C1CCCNCC1

InChI

1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2

InChI key

ZSIQJIWKELUFRJ-UHFFFAOYSA-N

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Application

Hexamethyleneimine (HMI) can be used in the preparation of:
  • zeolitic catalysts such as MCM-22 and MCM-49
  • SAPO-35, a molecular sieve
  • various microporous aluminosilicates and titanosilicates
  • organic-inorganic hybrid pervoskite


It can also been used in the total synthesis of various natural products and bioactive molecules such as (−)-balanol, indole estrogens, derivatives of daunorubicin and (+)-cetiedil.

Signal Word

Danger

Hazard Statements

H225,H300,H314,H331,H335

Hazard Classifications

Acute Tox. 2 Oral - Acute Tox. 3 Inhalation - Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1C - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

64.4 °F - closed cup

Flash Point(C)

18 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV3437
MKCT3570
MKCR7411
MKCS3887
MKCN9751

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A novel titanosilicate with MWW structure. I. Hydrothermal synthesis, elimination of extra framework titanium, and characterizations.
Wu P, et al.
The Journal of Physical Chemistry B, 105(15), 2897-2905 (2001)
Isolation and characterization of a novel lamellar-type aluminophosphate, AlPO4-L, a common precursor for AlPO4 molecular sieves.
Venkatathri N, et al.
Microporous and Mesoporous Materials : The Official Journal of the International Zeolite Association, 23(5-6), 277-285 (1998)
Formal total synthesis of (-)-balanol: Concise approach to the hexahydroazepine segment based on RCM.
Furstner A and Thiel OR
The Journal of Organic Chemistry, 65(6), 1738-1742 (2000)
J R Lundkvist et al.
Journal of medicinal chemistry, 33(12), 3182-3189 (1990-12-01)
A series of conformationally restricted analogues of the partial muscarinic agonist N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide (BM 5; 1) was synthesized. Three of the racemic derivatives were resolved into the enantiomers. The compounds were investigated for muscarinic and antimuscarinic activity in the isolated guinea
SAPO-35 Molecular Sieve: Synthesis, Characterization, and Adsorbate Interactions of Cu (II) in CuH? SAPO-35.
Prakash AM, et al.
Chemistry of Materials, 10(3), 932-941 (1998)
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