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BOC-1,4-TRANS-ACHA-OH

BOC-1,4-TRANS-ACHA-OH structure

CAS No:
189153-10-4
Formula:
C13H23NO4
Chemical Name:
BOC-1,4-TRANS-ACHA-OH
Synonyms:
BOC-1,4-TRANS-ACHA-OH;BOC-TRANS-4-AMINOCYCLOHEXANE ACETIC ACID;TRANS-1-(TERT-BUTYLOXYCARBONYL-AMINO)-CYCLOHEX-4-YL-ACETIC ACID;TRANS-1-(T-BUTYLOXYCARBONYLAMINO)CYCLOHEXYL-4-ACETIC ACID;TRANS-4-TERT-BUTOXYCARBONYLAMINOCYCLOHEXYLACETIC ACID;TRANS-1-(TERT-BUTYLOXYCARBONYLAMINO)CYCLOHEXYL-4-ACETIC ACID;trans-1-(t-Butyloxycarbonyl-amino)-cyclohex-4-yl-acetic acid;trans-(N-Boc-4-aminocyclohexyl)acetic Acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

solid

BOC-1,4-TRANS-ACHA-OH Basic Attributes

Molecular Weight：

257.33

Exact Mass：

257.16300

HScode：

29225090

Characteristics

PSA：

75.6

XLogP3：

Density：

1.11±0.1 g/cm3(Predicted)

Boiling Point：

414.9±14.0 °C(Predicted)

Flash Point：

204.7ºC

Refractive Index：

1.492

Water Solubility：

Slightly soluble in water (1.1 g/L) (25°C)

Vapor Pressure：

4.8E-08mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:257.33
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:257.16270821
Monoisotopic Mass:257.16270821
Topological Polar Surface Area:75.6
Heavy Atom Count:18
Complexity:301
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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