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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
118184-66-0 / (2-cyclopropylphenyl)methanamine
(2-CYCLOPROPYLPHENYL)METHANAMINE | RefChem:395733 | 943-706-2
Basic Information
CAS
118184-66-0
Multi CAS
No
Molecular Formula
C10H13N
Molecular Weight
147.220000
Exact Mass
147.104799
SMILES
C1CC1C2=CC=CC=C2CN
InChI
InChI=1S/C10H13N/c11-7-9-3-1-2-4-10(9)8-5-6-8/h1-4,8H,5-7,11H2
InChIKey
XSUSWKYDSROWDL-UHFFFAOYSA-N
Synonyms
(2-CYCLOPROPYLPHENYL)METHANAMINE
RefChem:395733
943-706-2
2-Cyclopropylbenzylamine
Benzenemethanamine,2-cyclopropyl-
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.31
TPSA
26.02
LogP / Solubility
WLOGP
2.02
MLOGP
1.77
XLogP3
1.7
Consensus LogP
1.83
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.18
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
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Customers Also Viewed
-
-
-
soyosaponin Ab
- CAS RN: 118194-13-1
- Product Code: starshine_CAS118194-13-1
- Purity/Analytical method: >99.0%
-
3-octylbenzenaMine
- CAS RN: 118198-99-5
- Product Code: starshine_CAS118198-99-5
- Purity/Analytical method: >99.0%
-
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-3-[(4-methoxyphenyl)methyl]-, (R)-
- CAS RN: 118204-64-1
- Product Code: starshine_CAS118204-64-1
- Purity/Analytical method: >99.0%
-
5-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
- CAS RN: 118206-31-8
- Product Code: starshine_CAS118206-31-8
- Purity/Analytical method: >99.0%
![CAS 118204-64-1 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-3-[(4-methoxyphenyl)methyl]-, (R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/118204-64-1.gif)
