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HCID 3684686Erstellt: 27. Oktober 2026

3-(Aminomethyl)benzeneboronic acid, N-BOC protected

N-BOC protected 97% · 3-[(Boc-amino)methyl]phenylboronic Acid · 3-(N-BOC-AMINOMETHYL)BENZENEBORONIC ACID · N-BOC-3-(AMINOMETHYL)BENZENEBORONIC ACID · 3-((N-Boc-amino)methyl)phenylboronic acid · 3-(Boc-aMinoMethyl)benzeneboronic acid, 97% · 3-(N-Boc-aminomethyl)phenylboronic acid · 3-N-(BOC)aminomethylphenylboronic acid - [B1972]

https://huagongshe.com/de/chemical/3684686

Molekülstruktur von 3-(Aminomethyl)benzeneboronic acid, N-BOC protected

Identifikatoren & physikalische Daten

CAS No.	199609-62-6
Summenformel	C12H18BNO4
Durchschnittliche Molmasse	251,09 g/mol
Monoisotopische Masse	251,13288846 g/mol
SMILES	CC(C)(C)OC(=O)NCc1cccc(B(O)O)c1
InChIKey	YHAQUGOSDQZIMA-UHFFFAOYSA-N
PubChem CID	3684686
EC No.	695-771-9
DTXSID	DTXSID70395016

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	78,8
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	5
Schwere Atome	18
Formalladung	0
Komplexität	278
Schmelzpunkt	188-190°C
Dichte	1.15±0.1 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
pKa (Säurekonstante)	8.41±0.10(Predicted)
Aggregatzustand	solid
InChI	1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
InChIKey	YHAQUGOSDQZIMA-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)NCc1cccc(c1)B(O)O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (66.7%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	2931900090
R-Sätze (R)	36/37/38-43
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36/37/39-36/37
Gefahrenklasse	IRRITANTSkin Sens. 1
Lagerklasse	11 - Combustible Solids

3-(Aminomethyl)benzeneboronic acid, N-BOC protected

CAS No.

199609-62-6

Summenformel

C12H18BNO4

Durchschnittliche Molmasse

251,09 g/mol

Monoisotopische Masse

251,13288846 g/mol

SMILES

CC(C)(C)OC(=O)NCc1cccc(B(O)O)c1

InChIKey

YHAQUGOSDQZIMA-UHFFFAOYSA-N

PubChem CID

3684686

EC No.

695-771-9

DTXSID

DTXSID70395016

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)

78,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

278

Schmelzpunkt

188-190°C

Dichte

1.15±0.1 g/cm3(Predicted)

Lagerbedingungen

Sealed in dry,Room Temperature

pKa (Säurekonstante)

8.41±0.10(Predicted)

Aggregatzustand

solid

InChI

1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)

InChIKey

YHAQUGOSDQZIMA-UHFFFAOYSA-N

SMILES

CC(C)(C)OC(=O)NCc1cccc(c1)B(O)O

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (66.7%)

Wassergefährdungsklasse (WGK)

WGK 3

Zollcode

2931900090

R-Sätze (R)

36/37/38-43

Gefahrensymbole

Sicherheitshinweise (S)

26-36/37/39-36/37

Gefahrenklasse

IRRITANTSkin Sens. 1

Lagerklasse

11 - Combustible Solids