N-(pyridin-2-ylmethyl)methanesulfonamide

HCID 4657001

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기본 정보

CAS: 74351-44-3
표준 SMILES: CS(=O)(=O)NCc1ccccn1
InChIKey: COZJGYDYFGRADG-UHFFFAOYSA-N
분자식: C7H10N2O2S
평균 분자량: 186.23 g/mol
단동위원소 질량: 186.04629874

이름 및 식별자

우선 이름: N-(pyridin-2-ylmethyl)methanesulfonamide
IUPAC: N-(pyridin-2-ylmethyl)methanesulfonamide
영어명: N-(2-PyridinylMethyl)-MethanesulfonaMide
분자식: C7H10N2O2S
분자량: 186.23

이름 및 동의어

74351-44-3N-(pyridin-2-ylmethyl)methanesulfonamideRefChem:828650872-081-8N-[(pyridin-2-yl)methyl]methanesulfonamideN-(2-Pyridinylmethyl)-methanesulfonamideMFCD012129572-(Methanesulfonamidomethyl)pyridineN-(2-pyridylmethyl)methanesulfonamideN-(2-Pyridinylmethyl)methanesulfonamideOprea1_855639SCHEMBL1706579

이름 더 보기

Methanesulfonamide, N-(2-pyridinylmethyl)-

SCHEMBL1706646SCHEMBL29681615COZJGYDYFGRADG-UHFFFAOYSA-NZCA35144(methylsulfonyl)(2-pyridylmethyl)amineAKOS003829832GS-0532DB-101428

데이터베이스 식별자

CAS: 74351-44-3
PubChem CID: 4657001
EC Number: 872-081-8
Nikkaji: J227.935E

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 67.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 220

물리화학적 성질

끓는 점: 331.4 · 331.4±44.0 °C(Predicted)
밀도: 1.281 · 1.281±0.06 g/cm3(Predicted)
저장 조건: Store at Room Tem.
산도 계수 (pKa): 9.43 · 9.43±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.