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CAS 1130155-48-4 (E)-4-(diMethylaMino)but-2-enoic acid (Hydrochloride) molecular structure lightbox
CAS RN: 1130155-48-4

(E)-4-(diMethylaMino)but-2-enoic acid (Hydrochloride)

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250519 100g In stock Shanghai Inquiry
Batchno.20251228 10g In stock Shanghai Inquiry
Batchno.20250502 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250703 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
Batchno.20250127 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20251215 5g In stock Shanghai Inquiry
  • Product code: SSC-013242
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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: 25g
  • Available purity: ＞97%
  • 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 1130155-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

1130155-48-4 / (E)-4-(dimethylamino)but-2-enoic acid;hydrochloride

4-(Dimethylamino)-2-butenoic acid hydrochloride | (2E)-4-(dimethylamino)but-2-enoic acid hydrochloride | ZRA8B68TND

Standard CAS: 1130155-48-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1130155-48-4
Multi CAS
Yes
Molecular Formula
C6H12ClNO2
Molecular Weight
165.620000
Exact Mass
165.055656
SMILES
CN(C)C/C=C/C(=O)O.Cl
InChI
InChI=1S/C6H11NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-4H,5H2,1-2H3,(H,8,9);1H/b4-3+;
InChIKey
UUHNQHFOIVLAQX-BJILWQEISA-N
Synonyms
4-(Dimethylamino)-2-butenoic acid hydrochloride (2E)-4-(dimethylamino)but-2-enoic acid hydrochloride ZRA8B68TND 2-Butenoic acid, 4-(dimethylamino)-, hydrochloride, (2E)- (2e)-4-(dimethylamino)-2-butenoic acid hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.58
TPSA
40.54

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
0.61
Consensus LogP
0.58
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.3

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

Safety & Transport

Pictogram(s)
Irritant Corrosive
Signal
Warning Danger
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H314 (57.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317 P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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