CAS RN: 1040233-31-5
Methyl 2-(1-aMinocyclopropyl)acetate hydrochloride
- Product code: SSC-005787
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 | Beijing | Inquiry |
1040233-31-5 / methyl 2-(1-aminocyclopropyl)acetate;hydrochloride
Methyl 2-(1-aminocyclopropyl)acetate hydrochloride | RefChem:813149 | 816-598-9
Basic Information
CAS
1040233-31-5
Multi CAS
No
Molecular Formula
C6H12ClNO2
Molecular Weight
165.620000
Exact Mass
165.055656
SMILES
COC(=O)CC1(CC1)N.Cl
InChI
InChI=1S/C6H11NO2.ClH/c1-9-5(8)4-6(7)2-3-6;/h2-4,7H2,1H3;1H
InChIKey
PMJSYRNIYIVBCH-UHFFFAOYSA-N
Synonyms
Methyl 2-(1-aminocyclopropyl)acetate hydrochloride
RefChem:813149
816-598-9
methyl 2-(1-aminocyclopropyl)acetate;hydrochloride
MFCD22741276
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.03
TPSA
52.32
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
0.46
Consensus LogP
0.44
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.4
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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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