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CAS 1212163-78-4 (1S)-1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)ETHAN-1-AMINE molecular structure lightbox
CAS RN: 1212163-78-4

(1S)-1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)ETHAN-1-AMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-022989
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1212163-78-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1212163-78-4 / (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-amine | RefChem:420326 | 859-412-1

Standard CAS: 1212163-78-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1212163-78-4
Multi CAS
Yes
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
C[C@@H](C1=CC2=C(C=C1)OCCO2)N
InChI
InChI=1S/C10H13NO2/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6-7H,4-5,11H2,1H3/t7-/m0/s1
InChIKey
ABUSRLBOAUOYSM-ZETCQYMHSA-N
Synonyms
1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-amine RefChem:420326 859-412-1 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine 1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-ethylamine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.03
TPSA
44.48

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.1
Consensus LogP
1.29
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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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