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CAS 1027338-45-9 2-(1-phenylcyclopropyl)propan-2-amine molecular structure lightbox
CAS RN: 1027338-45-9

2-(1-phenylcyclopropyl)propan-2-amine

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Batchno.20260122 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1027338-45-9
  • Purity/Analytical Methods: >99.0%
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1027338-45-9 / 2-(1-phenylcyclopropyl)propan-2-amine

2-(1-phenylcyclopropyl)propan-2-amine | RefChem:451236 | 846-757-8

Standard CAS: 1027338-45-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1027338-45-9
Multi CAS
No
Molecular Formula
C12H17N
Molecular Weight
175.270000
Exact Mass
175.136100
SMILES
CC(C)(C1(CC1)C2=CC=CC=C2)N
InChI
InChI=1S/C12H17N/c1-11(2,13)12(8-9-12)10-6-4-3-5-7-10/h3-7H,8-9,13H2,1-2H3
InChIKey
RONWWQKYWOGAQO-UHFFFAOYSA-N
Synonyms
2-(1-phenylcyclopropyl)propan-2-amine RefChem:451236 846-757-8 SCHEMBL2840979 CRB33845

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.62
TPSA
26.02

LogP / Solubility

WLOGP
2.46
MLOGP
2.16
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.05

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
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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