92457
Trimethylene imine
purum, ≥97.0% (GC)
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About This Item
Empirical Formula (Hill Notation):
C3H7N
CAS Number:
Molecular Weight:
57.09
EC Number:
207-963-8
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
102384
MDL number:
grade
purum
assay
≥97.0% (GC)
refractive index
n20/D 1.431, n20/D 1.432 (lit.)
bp
61-62 °C (lit.)
density
0.847 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
C1CNC1
InChI
1S/C3H7N/c1-2-4-3-1/h4H,1-3H2
InChI key
HONIICLYMWZJFZ-UHFFFAOYSA-N
signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 2 - Skin Corr. 1B
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
-5.8 °F - closed cup
flash_point_c
-21 °C - closed cup
ppe
Faceshields, Gloves, Goggles
Regulatory Information
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Bruce J Melancon et al.
Bioorganic & medicinal chemistry letters, 22(15), 5035-5040 (2012-07-04)
This Paper describes the continued optimization of an MLPCN probe molecule M(1) antagonist (ML012) through an iterative parallel synthesis approach. After several rounds of modifications of the parent compound, we arrived at a new azetidine scaffold that displayed improved potency
B G Oliveira et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 75(2), 563-566 (2009-12-05)
B3LYP/6-311++G(d,p) calculations were used to predict some molecular properties of the C2H6N+...BeH2, C2H6N...MgH2, C3H8N...BeH2 and C3H8N+...MgH2 dihydrogen-bonded complexes. In these systems, it was demonstrated that the C2H6N+ and C3H8N+ protonated rings are potential candidates to bind with protonic hydrogens derived
Laszlo Revesz et al.
Bioorganic & medicinal chemistry letters, 20(15), 4719-4723 (2010-07-02)
Spirocyclopropane- and spiroazetidine-substituted tetracycles 13D-E and 16A are described as orally active MK2 inhibitors. The spiroazetidine derivatives are potent MK2 inhibitors with IC(50)<3 nM and inhibit the release of TNFalpha (IC(50)<0.3 microM) from hPBMCs and hsp27 phosphorylation in anisomycin stimulated
Younghue Han et al.
Journal of medicinal chemistry, 55(18), 8188-8192 (2012-09-04)
Novel azetidines based on the 3-aryl-3-oxypropylamine scaffold were designed, synthesized, and evaluated as TRIs. Reduction of 1 followed by Swern oxidation and then Grignard reaction gave 3. The alkylation of 3 provided the corresponding azetidine derivatives 6, of which the
Niamh M O'Boyle et al.
European journal of medicinal chemistry, 46(9), 4595-4607 (2011-08-16)
The structure-activity relationships of antiproliferative β-lactams, focusing on modifications at the 4-position of the β-lactam ring, is described. Synthesis of this series of compounds was achieved utilizing the Staudinger and Reformatsky reactions. The antiproliferative activity was assessed in MCF-7 cells
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