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CAS 13293-47-5 (+)-ISOPINOCAMPHEYLAMINE molecular structure lightbox
CAS RN: 13293-47-5

(+)-ISOPINOCAMPHEYLAMINE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251207 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS13293-47-5
  • Purity/Analytical Methods: >99.0%
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13293-47-5 / (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine

Standard CAS: 13293-47-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13293-47-5
Multi CAS
No
Molecular Formula
C10H19N
Molecular Weight
153.260000
Exact Mass
153.151750
SMILES
C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1N
InChI
InChI=1S/C10H19N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9H,4-5,11H2,1-3H3/t6-,7+,8-,9-/m0/s1
InChIKey
VPTSZLVPZCTAHZ-KZVJFYERSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.13
TPSA
26.02

LogP / Solubility

WLOGP
2.02
MLOGP
1.77
XLogP3
2.3
Consensus LogP
2.03
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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