4,6-디클로로-N-(1,1,3,3-테트라메틸부틸)-1,3,5-트리아진-2-아민

4,6-Dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine

HCID 6430809CAS 72058-41-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)CC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIKey: HPFWYRKGZUGGPB-UHFFFAOYSA-N
분자식: C11H18Cl2N4
평균 분자량: 277.19 g/mol
단동위원소 질량: 276.09085194

이름 및 식별자

우선 이름: 4,6-Dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine
IUPAC: 4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
현지명: 4,6-디클로로-N-(1,1,3,3-테트라메틸부틸)-1,3,5-트리아진-2-아민
영어명: 4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine
분자식: C11H18Cl2N4
분자량: 277.19

이름 및 동의어

72058-41-44,6-Dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amineEINECS 276-309-1DTXSID80222389RefChem:508025DTXCID30144880276-309-14,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine(4,6-Dichloro-[1,3,5]triazin-2-yl)-(1,1,3,3-tetramethyl-butyl)-amineSCHEMBL39222SCHEMBL3208803SCHEMBL3208806

이름 더 보기

4,6-디클로로-N-(1,1,3,3-테트라메틸부틸)-1,3,5-트리아진-2-아민4,6-Dichloro-2-(1,1,3,3-tetramethylbutylamino)-1,3,5-triazine1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-

AKOS012164379NS000207022,4-dichloro-6-(1,1,3,3-tetramethylbutylamino)-1,3,5-triazine

데이터베이스 식별자

CAS: 72058-41-4
PubChem CID: 6430809
DTXSID: DTXSID80222389
EC Number: 276-309-1
Nikkaji: J120.432G

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 50.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 242

물리화학적 성질

녹는점: 163 · 163-165 °C
끓는 점: 395 · 395.0±25.0 °C(Predicted)
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
증기압: 0.005 Pa · 0.005Pa at 25℃
산도 계수 (pKa): 1.03 · 1.03±0.10(Predicted)
수용성: 248 μg/L · 248μg/L at 20℃
LogP: 5.18 at · 5.18 at 40℃

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.7% (3 of 112) of reports.

Danger

H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 112 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-

REACH registered substance: 4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine (EC: 276-309-1)

1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (96.4%)