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 |
1026009-69-7 / 4-(1-aminocyclopropyl)aniline
4-(1-aminocyclopropyl)aniline | 4-(1-Amino-cyclopropyl)-phenylamine | MFCD18439281
Basic Information
CAS
1026009-69-7
Multi CAS
No
Molecular Formula
C9H12N2
Molecular Weight
148.200000
Exact Mass
148.100048
SMILES
C1CC1(C2=CC=C(C=C2)N)N
InChI
InChI=1S/C9H12N2/c10-8-3-1-7(2-4-8)9(11)5-6-9/h1-4H,5-6,10-11H2
InChIKey
XESVHCCQIFLSPO-UHFFFAOYSA-N
Synonyms
4-(1-aminocyclopropyl)aniline
4-(1-Amino-cyclopropyl)-phenylamine
MFCD18439281
SCHEMBL14082287
AC2727
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.95
TPSA
52.04
LogP / Solubility
WLOGP
1.22
MLOGP
1.06
XLogP3
0.4
Consensus LogP
0.89
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1026023-54-0 Carbamic acid, N-[(1S)-4-[[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]amino]-1-formylbutyl]-, 9H-fluoren-9-ylmethyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Carbamic acid, N-[(1S)-4-[[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]amino]-1-formylbutyl]-, 9H-fluoren-9-ylmethyl ester
- CAS RN: 1026023-54-0
- Product Code: SSC-003876
-
4-(2-chloro-4-pyrimidinyl)benzoic acid methyl ester
- CAS RN: 1026029-33-3
- Product Code: SSC-003877
-
CCP
- CAS RN: 1026033-51-1
- Product Code: starshine_CAS1026033-51-1
- Purity/Analytical method: >99.0%
-
TiMolol IMpurity E
- CAS RN: 1026075-53-5
- Product Code: starshine_CAS1026075-53-5
- Purity/Analytical method: >99.0%
-
2-Chloro-3-chloroMethyl-5-trifluoroMethyl-pyridine
- CAS RN: 1026086-96-3
- Product Code: SSC-003879
-
(1S)-1-(4-Bromo-2-fluorophenyl)ethan-1-ol
- CAS RN: 1026088-11-8
- Product Code: starshine_CAS1026088-11-8
- Purity/Analytical method: >99.0%
![CAS 1026023-54-0 Carbamic acid, N-[(1S)-4-[[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]amino]-1-formylbutyl]-, 9H-fluoren-9-ylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1026023-54-0.gif)
