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1-Adamantaneacetic acid

1-Adamantaneacetic acid structure

CAS No:
4942-47-6
Formula:
C12H18O2
Chemical Name:
1-Adamantaneacetic acid
Synonyms:
Tricyclo[3.3.1.13,7]decane-1-acetic acid;1-Adamantaneacetic acid;2-(1-Adamantyl)acetic acid;α-(1-Adamantyl)acetic acid;1-(Carboxymethyl)adamantane;1-Adamantylacetic acid;Adamantylacetic acid;(Adamantan-1-yl)acetic acid;NSC 310162;(Tricyclo[3.3.1.13,7]dec-1-yl)acetic acid;2-(Adamantan-1-yl)acetic acid
Categories:
Chemical Reagents > Organic Reagents

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Description

white to off-white crystalline powder or crystals

1-Adamantaneacetic acid Basic Attributes

Molecular Weight：

194.27

Exact Mass：

194.27

BRN：

641412

EC Number：

225-585-1

NSC Number：

310162

DSSTox ID：

DTXSID90197791

HScode：

2916209090

Characteristics

PSA：

37.3

XLogP3：

3.2

Appearance：

White to off-white Crystalline Powder or Crystals

Density：

1.2±0.1 g/cm3

Melting Point：

133 °C

Boiling Point：

319.2°C at 760 mmHg

Flash Point：

163.0±10.3 °C

Refractive Index：

1.550

Water Solubility：

Solubility in Methanol - almost transparency

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-15-10

safety instructions：

22-24/25-43-7/8

Marks：

Xi,Xn,F

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-adamantaneacetic acid

Computed Properties

Molecular Weight:194.27
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:194.130679813
Monoisotopic Mass:194.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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