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CAS 1135935-37-3 1-Azabicyclo[2.2.1]heptane-4-MethanaMine molecular structure lightbox
CAS RN: 1135935-37-3

1-Azabicyclo[2.2.1]heptane-4-MethanaMine

  • Product code: SSC-013684
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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 1135935-37-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1135935-37-3 / 1-azabicyclo[2.2.1]heptan-4-ylmethanamine

1-azabicyclo[2.2.1]heptan-4-ylmethanamine | 1-Azabicyclo[2.2.1]heptane-4-methanamine | MFCD19207940

Standard CAS: 1135935-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1135935-37-3
Multi CAS
No
Molecular Formula
C7H14N2
Molecular Weight
126.200000
Exact Mass
126.115698
SMILES
C1CN2CCC1(C2)CN
InChI
InChI=1S/C7H14N2/c8-5-7-1-3-9(6-7)4-2-7/h1-6,8H2
InChIKey
FHOLJYLJISTCOR-UHFFFAOYSA-N
Synonyms
1-azabicyclo[2.2.1]heptan-4-ylmethanamine 1-Azabicyclo[2.2.1]heptane-4-methanamine MFCD19207940 (1-Azabicyclo[2.2.1]heptan-4-yl)methanamine 1-{1-AZABICYCLO[2.2.1]HEPTAN-4-YL}METHANAMINE

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.16
TPSA
29.26

LogP / Solubility

WLOGP
0.04
MLOGP
0.03
XLogP3
-0.3
Consensus LogP
-0.08
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
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)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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