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CAS 120-07-0 N-Phenyldiethanolamine molecular structure lightbox
CAS RN: 120-07-0

N-Phenyldiethanolamine

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 1kg In stock Inquiry
Batchno.20260614 250g In stock Inquiry
Batchno.20260506 50g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 50g / 250g / 1kg / 5kg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-020770
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120-07-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 2 In Stock Shenzhen Inquiry
100g >95% 0 Out of Stock Beijing Inquiry

120-07-0 / 2-[N-(2-hydroxyethyl)anilino]ethanol

N-Phenyldiethanolamine | 2,2'-(Phenylimino)diethanol | N-Phenyl diethanolamine

Standard CAS: 120-07-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
120-07-0
Multi CAS
Yes
Molecular Formula
C10H15NO2
Molecular Weight
181.230000
Exact Mass
181.110279
SMILES
C1=CC=C(C=C1)N(CCO)CCO
InChI
InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKey
OJPDDQSCZGTACX-UHFFFAOYSA-N
Synonyms
N-Phenyldiethanolamine 2,2'-(Phenylimino)diethanol N-Phenyl diethanolamine Diethanolaniline PHENYLDIETHANOLAMINE

Physical Properties

Physical Description
Other Solid White or light brown solid with an amine-like odor
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.83
TPSA
43.7

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.4
Consensus LogP
0.43
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.49

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 Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (60.6%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (23.1%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (64%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (86.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (13.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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