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CAS 195604-39-8 (S)-1-CYCLOPROPYLETHYLAMINE molecular structure lightbox
CAS RN: 195604-39-8

(S)-1-CYCLOPROPYLETHYLAMINE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS195604-39-8
  • Purity/Analytical Methods: >99.0%
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195604-39-8 / (1S)-1-cyclopropylethanamine

Standard CAS: 195604-39-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
195604-39-8
Multi CAS
No
Molecular Formula
C5H11N
Molecular Weight
85.150000
Exact Mass
85.089149
SMILES
C[C@@H](C1CC1)N
InChI
InChI=1S/C5H11N/c1-4(6)5-2-3-5/h4-5H,2-3,6H2,1H3/t4-/m0/s1
InChIKey
IXCXVGWKYIDNOS-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.37
TPSA
26.02

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
0.5
Consensus LogP
0.63
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302+H332 (70.7%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (70.7%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (70.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501

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