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CAS 17193-28-1 1-AMINO-1-CYCLOPENTANECARBOXAMIDE molecular structure lightbox
CAS RN: 17193-28-1

1-AMINO-1-CYCLOPENTANECARBOXAMIDE

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  • Product code: starshine_CAS17193-28-1
  • Purity/Analytical Methods: >99.0%
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17193-28-1 / 1-aminocyclopentane-1-carboxamide

Standard CAS: 17193-28-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17193-28-1
Multi CAS
No
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
SMILES
C1CCC(C1)(C(=O)N)N
InChI
InChI=1S/C6H12N2O/c7-5(9)6(8)3-1-2-4-6/h1-4,8H2,(H2,7,9)
InChIKey
YGVGITVCEHRBDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.58
TPSA
69.11

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.23
XLogP3
-1
Consensus LogP
-0.5
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
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)
-3.68

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H372 **: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P319, P330, and P501

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