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CAS 1159737-42-4 1-(1-METHYL-1H-IMIDAZOL-4-YL)CYCLOPROPAN-1-AMINE molecular structure lightbox
CAS RN: 1159737-42-4

1-(1-METHYL-1H-IMIDAZOL-4-YL)CYCLOPROPAN-1-AMINE

  • Product code: SSC-015852
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1159737-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1159737-42-4 / 1-(1-methylimidazol-4-yl)cyclopropan-1-amine

1-(1-Methyl-1h-imidazol-4-yl)cyclopropan-1-amine | 1-(1-methyl-1H-imidazol-4-yl)cyclopropanamine | SCHEMBL1918493

Standard CAS: 1159737-42-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1159737-42-4
Multi CAS
Yes
Molecular Formula
C7H11N3
Molecular Weight
137.180000
Exact Mass
137.095297
SMILES
CN1C=C(N=C1)C2(CC2)N
InChI
InChI=1S/C7H11N3/c1-10-4-6(9-5-10)7(8)2-3-7/h4-5H,2-3,8H2,1H3
InChIKey
JNESDSJCNNIMQA-UHFFFAOYSA-N
Synonyms
1-(1-Methyl-1h-imidazol-4-yl)cyclopropan-1-amine 1-(1-methyl-1H-imidazol-4-yl)cyclopropanamine SCHEMBL1918493 JNESDSJCNNIMQA-UHFFFAOYSA-N MFCD18439851

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.31
TPSA
43.84

LogP / Solubility

WLOGP
0.37
MLOGP
0.32
XLogP3
-0.7
Consensus LogP
0.0000
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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